SCHEMBL9033370

SCHEMBL9033370

NC(=O)n1ccc2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.57
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
PARP1 P09874 2/20 0.40
KMO O15229 2/20 0.40
KRAS P01116 2/20 0.38
AHR P35869 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 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
SCHEMBL2659180 0.87 OXER1 (0.63) OXER1ROCK2PIM1PIM3HTR2A
SCHEMBL8132976 0.82 OXER1 (0.57) OXER1ROCK2PIM1PIM3HTR2A
SCHEMBL29949827 0.79 ROCK2 (0.52) ROCK2PIM1PIM3PARP1KDM4E
SCHEMBL5785852 0.79 HTR2A (0.44) OXER1PIM1HTR2AHTR2CPARP1
SCHEMBL30740677 0.79 TFPI2 (0.50) OXER1HTR2AHTR2CPARP1KDM4E
SCHEMBL28655804 0.78 OXER1 (0.54) OXER1ROCK2PIM1PIM3HTR2A
SCHEMBL20905233 0.78 OXER1 (0.54) OXER1ROCK2PIM1PIM3HTR2A
SCHEMBL31517107 0.78 OXER1 (0.54) OXER1ROCK2PIM1PIM3HTR2A
SCHEMBL31435522 0.77 RAB9A (0.66) OXER1ROCK2PIM1PIM3KDM4E
SCHEMBL8132979 0.76 OXER1 (0.55) OXER1ROCK2PIM1PIM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 WO disclosed
EP-0686148-A4 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO INC (US) 1996-02-07 EP disclosed
EP-0686148-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO. INC. (US) 1995-12-13 EP disclosed