SCHEMBL7941748

SCHEMBL7941748

Cc1cc(C)c(N)c(C(C)(C)C)c1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL541137 0.85 POLB (0.48) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL22002767 0.76 POLB (0.44) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL21203054 0.75 CYP2C9 (0.48) POLBALDH1A1TP53KDM4EGABRA1
SCHEMBL6458077 0.75 POLB (0.48) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL2231480 0.74 POLB (0.94) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL10256976 0.72 POLB (0.44) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL9799571 0.72 POLB (0.39) POLBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL785259 0.72 POLB (0.45) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL8968789 0.72 POLB (0.41) POLBALDH1A1TSHRCYP3A4TP53
SCHEMBL24534176 0.72 POLB (0.35) POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539406-B1 THIXOTROPIC POLYURETHANE SYSTEMS HENKEL KGAA (DE) 1994-11-02 EP claimed
US-5338767-A POLYOL COMPONENT CONTAINS MIXTURE OF POLYAMIDOAMINE AND, LOW MOLECULAR WEIGHT, POLYFUNCTIONAL AMINES; TWO-STEP SYSTEM HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-08-16 US claimed
EP-0539406-A1 THIXOTROPIC POLYURETHANE SYSTEMS. HENKEL KGAA (DE) 1993-05-05 EP claimed
WO-1992001725-A1 THIXOTROPIC POLYURETHANE SYSTEMS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-06 WO claimed
US-6287495-B1 Thixotropic wood binder compositions BAYER CORPORATION 2001-09-11 US disclosed
EP-0929587-A1 USE OF A TWO-COMPONENT POLYURETHANE SYSTEM FOR SMOOTHING Henkel Kommanditgesellschaft auf Aktien (DE) 1999-07-21 EP disclosed
WO-1998015586-A1 USE OF A TWO-COMPONENT POLYURETHANE SYSTEM FOR SMOOTHING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-04-16 WO disclosed
EP-0173888-B2 A process for the production of polyurethane elastomers and an isocyanate-reactive composition to be used in this process MOBAY CORP (US) 1995-03-22 EP disclosed
EP-0539406-B1 THIXOTROPIC POLYURETHANE SYSTEMS HENKEL KGAA (DE) 1994-11-02 EP disclosed
US-5338767-A POLYOL COMPONENT CONTAINS MIXTURE OF POLYAMIDOAMINE AND, LOW MOLECULAR WEIGHT, POLYFUNCTIONAL AMINES; TWO-STEP SYSTEM HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-08-16 US disclosed
US-5334670-A Internal release agent which is polyester condensate of fatty acid having hydroxy group MITSUI TOATSU CHEMICALS, INC. (JP) 1994-08-02 US disclosed
US-5306788-A Release agents; polyesterurethane copolymer MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-4677136-A MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0220411-A1 Process for the preparation of shoe soles BAYER AG (DE) 1987-05-06 EP disclosed
EP-0211270-A2 Use of polyisocyanate compositions containing urea and/or biuret groups, as isocyanate components in the preparation of synthetic resins by the isocyanate-polyaddition process BAYER AG (DE) 1987-02-25 EP disclosed
EP-0204246-A2 Process for the preparation of flexible moulded parts BAYER AG (DE) 1986-12-10 EP disclosed
EP-0204141-A2 USE OF UREA AND/OR BIURET GROUPS CONTAINING POLYISOCYANATES AS ISOCYANATE COMPONENT IN THE PREPARATION OF PLASTICS BY THE REACTION INJECTION MOLDING PROCESS BAYER AG (DE) 1986-12-10 EP disclosed
US-4609682-A REACTION INJECTION/MOLDING BAYER AKTIENGESELLSCHAFT (DE) 1986-09-02 US disclosed
EP-0180749-A1 Process for the preparation of moulded articles BAYER AG (DE) 1986-05-14 EP disclosed
EP-0173888-A1 A process for the production of polyurethane elastomers and an isocyanate-reactive composition to be used in this process MOBAY CORPORATION (US) 1986-03-12 EP disclosed