SCHEMBL6586777

SCHEMBL6586777

Cc1nn(-c2ccccc2)c(Cl)c1-c1nc2c(OC(N)=O)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 5/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL6587560 0.85 PARP1 (0.42) PARP1RAB9ARXFP1MAPTSMN1; SMN2
SCHEMBL6810783 0.85 PARP1 (0.56) PARP1DHODH
SCHEMBL7481617 0.81 GAA (0.52) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6587520 0.78 PARP1 (0.46) PARP1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL6587182 0.75 MEN1 (0.52) PARP1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL6590978 0.74 PARP1 (0.42) PARP1RAB9ANPC1
SCHEMBL6585205 0.74 PARP1 (0.42) PARP1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7471031 0.73 PARP1 (0.45) PARP1MAPTALDH1A1DHODH
SCHEMBL6810792 0.73 RCE1 (0.43) PARP1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL6591702 0.72 PARP1 (0.44) PARP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed