SCHEMBL4304

SCHEMBL4304

CCc1noc(-c2ccc(Br)cc2)c1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.39
TARBP2 Q15633 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4034308 0.87 KDM4E (0.49) RAB9ANPC1SMN1; SMN2LPAR1LPAR3
SCHEMBL6003 0.84 LPAR1 (0.54) RAB9ANPC1SMN1; SMN2LPAR1LPAR3
SCHEMBL4877 0.84 BCL2 (0.42) RAB9ANPC1SMN1; SMN2LPAR1LPAR3
SCHEMBL4033611 0.84 LPAR1 (0.40) RAB9ANPC1SMN1; SMN2LPAR1LPAR3
SCHEMBL4031154 0.83 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TP53MAPTKDM4E
SCHEMBL343798 0.82 LPAR1 (0.65) RAB9ANPC1SMN1; SMN2LPAR1LPAR3
SCHEMBL4529 0.80 PTPN1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL14790131 0.80 RAB9A (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL27868823 0.79 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL2761271 0.78 LPAR1 (0.48) RAB9ASMN1; SMN2LPAR1LPAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed