SCHEMBL4348

SCHEMBL4348

Cc1noc(-c2ccc(Br)cc2)c1NCCc1cc(-c2ccccc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
NOTUM Q6P988 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38

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
SCHEMBL4791 0.80 ALDH1A1 (0.42) IGF1RNOTUMLMNAMAPTPOLB
SCHEMBL1445 0.79 TSHR (0.44) L3MBTL1TDP1LPAR1LPAR3
SCHEMBL6478 0.78 LPAR1 (0.38) LMNAMAPTPOLBLPAR1LPAR3
SCHEMBL4090 0.77 LPAR1 (0.40) IGF1RLMNAMAPTPOLBALDH1A1
SCHEMBL7303 0.76 CYP2A6 (0.38) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4347 0.76 LPAR1 (0.46) IGF1RMAPTALDH1A1NPC1RAB9A
SCHEMBL1166 0.75 LPAR1 (0.47) LMNAMAPTALDH1A1SMN1; SMN2LPAR1
SCHEMBL7104 0.73 LPAR1 (0.34) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6761 0.72 LPAR1 (0.38) MAPTALDH1A1RXFP1NPC1RAB9A
SCHEMBL6364 0.72 LPAR1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 4 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
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed