SCHEMBL7302295

SCHEMBL7302295

CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.65
RAB9A P51151 4/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B2 P37059 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GLA P06280 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
NR1H4 Q96RI1 4/20 0.56
PPARG P37231 3/20 0.56
HDAC1 Q13547 2/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPY1R P25929 1/20 0.49

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
SCHEMBL7301478 0.89 HDAC1 (0.69) SERPINE1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7303587 0.85 RAB9A (0.68) SERPINE1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7293409 0.84 SERPINE1 (0.67) SERPINE1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7292066 0.84 KCNMA1 (0.69) SERPINE1RAB9ANPC1SMN1; SMN2HSD17B2
SCHEMBL7428272 0.84 PPARG (0.60) SERPINE1RAB9ANPC1ALDH1A1GLA
SCHEMBL7297665 0.82 SERPINE1 (0.72) SERPINE1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5226208 0.82 HDAC1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GLA
SCHEMBL7302951 0.81 SERPINE1 (0.71) SERPINE1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6170145 0.81 HDAC1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL5223727 0.79 PTGS1 (0.72) RAB9ANPC1ALDH1A1GLAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed