SCHEMBL9757200

SCHEMBL9757200

COc1ccc2nc(CCl)ccc2c1.Cc1cc(C)c2nc(CCl)ccc2c1.Cc1cccc2ccc(CCl)nc12.ClCc1ccc2ccc(Cl)cc2n1.O=[N+]([O-])c1ccc2nc(CCl)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 3/20 0.35
CASP3 P42574 1/20 0.35
MEN1 O00255 6/20 0.34
MAPT P10636 6/20 0.33
POLB P06746 3/20 0.33
NPBWR1 P48145 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
GSR P00390 3/20 0.33

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
SCHEMBL9827466 0.82 TTR (0.43) KMT2ASMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL10534058 0.80 NPC1 (0.46) KMT2ASMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL9828310 0.80 PDE10A (0.44) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL4847221 0.70 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4849365 0.68 NCF1 (0.57) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9673655 0.68 CYP1A2 (0.34) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6585706 0.67 MAPT (0.46) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4841795 0.66 CCR1 (0.39) KMT2ASMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL8185499 0.64 ALDH1A1 (0.59) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29164288 0.64 SNCA (0.56) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed