SCHEMBL21396621

SCHEMBL21396621

CCN(CC)c1ccc2c(c1)Cc1cc(N(CC)CC)ccc1C2c1ccc(Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.42
TAAR1 Q96RJ0 3/20 0.37
S1PR1 P21453 5/20 0.37
ALDH1A1 P00352 6/20 0.35
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
IGLV6-57 P01721 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL21396616 0.80 KDM1A (0.38) S100BTAAR1S1PR1ALDH1A1CYP3A4
SCHEMBL21396517 0.78 HTR2A (0.38) S100BTAAR1S1PR1ALDH1A1CYP3A4
SCHEMBL8863620 0.73 HSD17B10 (0.47) S100BALDH1A1CYP3A4TDP1HTT
SCHEMBL10870568 0.72 ALDH1A1 (0.43) S100BALDH1A1CYP3A4TDP1HTT
SCHEMBL10619131 0.70 ALDH1A1 (0.41) S100BTAAR1S1PR1ALDH1A1CYP3A4
SCHEMBL692797 0.70 HSD17B10 (0.43) S100BALDH1A1CYP3A4TDP1HTT
SCHEMBL21396497 0.69 CYP3A4 (0.42) S100BTAAR1ALDH1A1CYP3A4TDP1
SCHEMBL8863622 0.68 HSD17B10 (0.42) S100BS1PR1ALDH1A1CYP3A4TDP1
SCHEMBL24591452 0.67 S100B (0.40) S100BALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL4894950 0.67 CYP3A4 (0.53) S100BALDH1A1CYP3A4TDP1HTT

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-2019182315-A1 COLORED CURABLE RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2019-09-26 WO disclosed