SCHEMBL28548286

SCHEMBL28548286

Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
KMT2A Q03164 8/20 0.58
MEN1 O00255 6/20 0.58
ALPL P05186 2/20 0.58
ALPG P10696 2/20 0.58
ALPI P09923 1/20 0.58
MAPK1 P28482 8/20 0.56
TDP1 Q9NUW8 6/20 0.56
ALDH1A1 P00352 4/20 0.56
TSHR P16473 4/20 0.56
HSD17B10 Q99714 2/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
NSD2 O96028 1/20 0.56
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54

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
SCHEMBL11036683 0.86 MAPK1 (0.72) NPC1RAB9AKMT2AMEN1ALPL
SCHEMBL5982208 0.86 NPC1 (0.67) NPC1RAB9AKMT2AMEN1ALPL
SCHEMBL5982202 0.86 NPC1 (0.67) NPC1RAB9AKMT2AMEN1ALPL
SCHEMBL11036688 0.84 NPC1 (0.65) NPC1RAB9AKMT2AMEN1ALPL
SCHEMBL14176746 0.84 MAPK1 (0.53) NPC1RAB9AKMT2AMEN1ALPL
SCHEMBL4151493 0.80 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL29364976 0.79 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL10106300 0.79 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL11696808 0.79 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL327807 0.79 NPC1 (0.58) NPC1RAB9AKMT2AMEN1ALPL

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
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed