SCHEMBL8010288

SCHEMBL8010288

CCC(N=C=O)(N=C=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
IDO1 P14902 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
CTBP2 P56545 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
SCHEMBL17942152 0.82 KCNN4 (0.36) TSHRMAPTGABRA1GABRB2GAA
SCHEMBL19127370 0.79 ATM (0.38) TSHRNPC1MAPTRAB9AHPGD
SCHEMBL2334754 0.76 KIF11 (0.33) TSHRNPC1MAPTRAB9AESR1
SCHEMBL3683884 0.75 TSHR (0.42) TSHRNPC1MAPTRAB9ACA1
SCHEMBL28125043 0.75 TSHR (0.42) TSHRNPC1MAPTRAB9ACA1
SCHEMBL15942798 0.74 TSHR (0.46) TSHRNPC1MAPTRAB9ACA1
SCHEMBL167876 0.74 TSHR (0.46) TSHRNPC1MAPTRAB9ACA1
SCHEMBL7031500 0.71 TSHR (0.38) TSHRNPC1MAPTRAB9ACA1
SCHEMBL8850555 0.69 GABRA1 (0.36) NPC1RAB9AGABRA1GABRB2ESR1
SCHEMBL10582952 0.69 KIF11 (0.40) TSHRNPC1MAPTRAB9AHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000036028-A1 PARTICULATE CARBAMATE FUNCTIONAL COMPOUNDS AND POWDER COATINGS COMPRISING THE SAME BASF CORPORATION (US) 2000-06-22 WO claimed
EP-3515560-A1 COPOLYMER COMPOSITION FOR COATING AND ADHESIVE APPLICATIONS Dow Corning Corporation (US) 2019-07-31 EP disclosed
EP-3515959-A1 SKIN CONTACT ADHESIVE AND METHODS FOR ITS PREPARATION AND USE Dow Silicones Corporation (US) 2019-07-31 EP disclosed
EP-3515960-A1 PERSONAL CARE COMPOSITIONS INCLUDING A POLYURETHANE-POLYORGANOSILOXANE COPOLYMER Dow Silicones Corporation (US) 2019-07-31 EP disclosed
WO-2018052646-A1 COPOLYMER COMPOSITION FOR COATING AND ADHESIVE APPLICATIONS DOW CORNING CORPORATION (US) 2018-03-22 WO disclosed
WO-2018052647-A1 PERSONAL CARE COMPOSITIONS INCLUDING A POLYURETHANE-POLYORGANOSILOXANE COPOLYMER DOW CORNING CORPORATION (US) 2018-03-22 WO disclosed
WO-2018052645-A1 SKIN CONTACT ADHESIVE AND METHODS FOR ITS PREPARATION AND USE DOW CORNING CORPORATION (US) 2018-03-22 WO disclosed
EP-0730613-A1 METHOD OF PRODUCING A DOUBLE-LAYER COATING OF PAINT AND A WATER-BASED PAINT BASF Lacke + Farben AG (DE) 1996-09-11 EP disclosed
EP-0662992-A1 MIX SYSTEM FOR PRODUCING WATER-DILUTABLE COATING AGENTS BASF Lacke + Farben AG (DE) 1995-07-19 EP disclosed
WO-1995014721-A1 METHOD OF PRODUCING A DOUBLE-LAYER COATING OF PAINT AND A WATER-BASED PAINT BASF LACKE + FARBEN AG (DE) 1995-06-01 WO disclosed
WO-1994007960-A1 MIX SYSTEM FOR PRODUCING WATER-DILUTABLE COATING AGENTS BASF LACKE + FARBEN AG (DE) 1994-04-14 WO disclosed
EP-0526472-A1 HOUSEHOLD GENERAL-PURPOSE ADHESIVE ON A POLYURETHANE BASIS. HENKEL KGAA (DE) 1993-02-10 EP disclosed
WO-1993000377-A1 LOW VOLATILE ORGANIC CONTENT CLEAR EPOXY ACRYLIC COATING COMPOSITION FOR BASECOAT CLEAR COAT FINISH E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-07 WO disclosed
EP-0521044-A1 POLYURETHANE SEALING MATERIALS CONTAINING EPOXIDE COMPOUNDS. HENKEL KGAA (DE) 1993-01-07 EP disclosed
WO-1991015529-A1 HOUSEHOLD GENERAL-PURPOSE ADHESIVE ON A POLYURETHANE BASIS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-10-17 WO disclosed