SCHEMBL9133306

SCHEMBL9133306

Oc1ccccc1Nc1cccc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
CCR4 P51679 1/20 0.45
DHPS P49366 2/20 0.43
AHR P35869 1/20 0.43
FLT3 P36888 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HTR6 P50406 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
RET P07949 1/20 0.41
CDC25B P30305 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PIK3CA P42336 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
FTO Q9C0B1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Benzamide SCHEMBL9242142 0.86 MAPK1 (0.48) MAPK1CCR4DHPSHTR6CDC25B
SCHEMBL10647322 0.82 DHPS (0.48) MAPK1CCR4DHPSEGFRPDGFRB
SCHEMBL27463226 0.79 MEN1 (0.59) MAPK1CCR4DHPSAHRHTR6
SCHEMBL9132873 0.78 MAPK1 (0.51) MAPK1CCR4DHPSAHRHTR6
SCHEMBL9232128 0.77 AHR (0.56) MAPK1AHRHTR6KDM4EALDH1A1
SCHEMBL29363007 0.77 AHR (0.56) MAPK1AHRHTR6KDM4EALDH1A1
SCHEMBL26495 0.77 AHR (0.56) MAPK1AHRHTR6KDM4EALDH1A1
SCHEMBL2986147 0.76 MAPK14 (0.57) MAPK1CCR4EGFRPDGFRBKDR
SCHEMBL21925739 0.76 MAPK1 (0.49) MAPK1CCR4DHPSAHRHTR6
SCHEMBL12650796 0.76 ROCK1 (0.49) FLT3MKNK1MKNK2KDRRET

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
US-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US disclosed