SCHEMBL12808274

SCHEMBL12808274

Cc1ccc(NC(=O)NN)cc1CI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 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
SCHEMBL16602991 0.82 ALDH1A1 (0.49) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28599104 0.80 POLB (0.61) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10330604 0.77 MAPT (0.57) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7528507 0.76 SMN1; SMN2 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL10330128 0.73 MAPT (0.54) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28244653 0.72 ALDH1A1 (0.44) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16802910 0.72 MAPT (0.46) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14448170 0.71 ALDH1A1 (0.44) POLBALDH1A1SMN1; SMN2ALOX15MEN1
SCHEMBL11320359 0.71 GNG2 (0.53) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6827238 0.70 KDM4E (0.68) POLBALDH1A1RAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038846-A1 METHOD FOR LOWERING EMISSIONS OF A POLYURETHANE FOAM BAYER MATERIALSCIENCE AG (DE) 2011-04-07 — — WO disclosed
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