SCHEMBL6632291

SCHEMBL6632291

NC(=O)Oc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 2/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ADORA1 P30542 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL20509384 0.86 SMN1; SMN2 (0.54) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL11684240 0.86 SMN1; SMN2 (0.56) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL10720726 0.86 SMN1; SMN2 (0.56) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL8795716 0.84 SMN1; SMN2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL21629502 0.84 SMN1; SMN2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL8795722 0.84 SMN1; SMN2 (0.59) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL11717998 0.83 SMN1; SMN2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL10535907 0.83 SMN1; SMN2 (0.54) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1847840 0.83 MAPT (0.53) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; SMN2
SCHEMBL5131881 0.83 CYP1A2 (0.56) CYP1A2CYP2C19CYP3A4CYP2D6SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105295197-B Method for regulating and controlling crystal form in iPP-EPDM rubber-plastic blended material by adopting double constant-temperature heating tables 安徽大学 2017-06-13 CN claimed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed