SCHEMBL2043683

SCHEMBL2043683

CC(C)c1c(N)ccc(C(c2ccc(N)cc2)(C(C)C)C(C)C)c1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL11022189 0.75 MAPT (0.42) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL924270 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28057567 0.66 ALDH1A1 (0.39) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL13523919 0.65 ALDH1A1 (0.45) NPC1ALDH1A1MAPTHPGDMAPK1
Methane SCHEMBL28536983 0.65 CYP3A4 (0.37) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL7647702 0.63 ALDH1A1 (0.39) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL7226298 0.61 ALDH1A1 (0.40) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL14407143 0.61 ALDH1A1 (0.45) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL1228797 0.61 LMNA (0.32) ALDH1A1HPGD
SCHEMBL1532606 0.61 CYP3A4 (0.37) ALDH1A1MAPTMAPK1

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
US-11078320-B2 Porous materials based on aromatic amines BASF SE (DE) 2021-08-03 US disclosed
EP-2510026-B1 IMPROVED POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2014-02-26 EP disclosed
US-20120305827-A1 POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2012-12-06 US disclosed
EP-2510026-A2 IMPROVED POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2012-10-17 EP disclosed
WO-2011069959-A2 IMPROVED POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2011-06-16 WO disclosed
WO-2005108961-A9 METHOD FOR MARKING TERRAIN LANXESS DEUTSCHLAND GMBH (DE) 2006-10-26 WO disclosed
EP-0657482-A1 Process for the preparation of compact or cellular polyurethanes, urethane group containing polyisocyanate compositions and their use in this process BASF AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed
EP-0409433-A1 Internal mould release compositions ATLAS EUROPOL SpA (IT) 1991-01-23 EP disclosed
US-4757095-A Polyurethane-polyurea composition comprising reaction product of a mixture of diphenylmethane diisocyanate and uretonimine modified diisocyanate, polyol, with a lactone and a lactam, an alkane diol, and catalyst BASF CORPORATION (US) 1988-07-12 US disclosed
EP-0219709-A2 Polymethylene polyphenylamine modified diamine chain extenders and polyurea elastomers therefrom THE DOW CHEMICAL COMPANY (US) 1987-04-29 EP disclosed
US-4596685-A Reacting polyisocyanate, polyols, and oxyethylated amine BASF CORPORATION (US) 1986-06-24 US disclosed
EP-0107108-B1 ALKYLATED VICINAL TOLUENEDIAMINES AND THEIR USE AS CHAIN EXTENDERS IN THE PREPARATION OF POLYURETHANE-POLYUREA ELASTOMERS BASF Corporation (US) 1986-03-05 EP disclosed
US-4529746-A Alkylated vicinal toluenediamines and their use as chain extenders in the preparation of polyurethane-polyurea elastomers BASF WYANDOTTE CORPORATION (US) 1985-07-16 US disclosed
EP-0107108-A1 Alkylated vicinal toluenediamines and their use as chain extenders in the preparation of polyurethane-polyurea elastomers BASF Corporation (US) 1984-05-02 EP disclosed
EP-0026915-A2 Process for preparing moulded polyurethane-polyurea articles which may contain cells BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed