SCHEMBL9754090

SCHEMBL9754090

CCc1nc(NC(=O)CI)ccc1I

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
GRM5 P41594 1/20 0.36
MAPK8 P45983 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL27370123 0.86 GRM5 (0.41) SMN1; SMN2RAB9ANPC1GRM5MAPK8
SCHEMBL9854156 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TDP1RAB9ANPC1GRM5
SCHEMBL9821199 0.74 CHRNB2 (0.39) NPC1KMT2AALDH1A1
SCHEMBL1721734 0.73 MAPK8 (0.45) SMN1; SMN2MAPK8KMT2AALDH1A1GAA
SCHEMBL9854170 0.73 KMT2A (0.36) TDP1GRM5MAPK8KMT2APOLB
SCHEMBL10523995 0.71 MAPK8 (0.43) SMN1; SMN2TDP1RAB9ANPC1MAPK8
SCHEMBL9854169 0.68 HTT (0.34) SMN1; SMN2TDP1GAA
SCHEMBL10200326 0.67 KDM4E (0.46) MAPK8KMT2AALDH1A1GAAMAPT
SCHEMBL17620147 0.66 TRPA1 (0.40) SMN1; SMN2TDP1RAB9ANPC1KMT2A
SCHEMBL3056162 0.66 SCN9A (0.50) MAPK8POLBALDH1A1GAA

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
JP-3184960-A None JP disclosed
JP-H03184960-A N-PYRIDYLAMIDE COMPOUND, ITS PRODUCTION AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE SANE ISHIHARA SANGYO KAISHA LTD 1991-08-12 JP disclosed