SCHEMBL21396517

SCHEMBL21396517

CCN(CC)c1ccc2c(c1)Cc1cc(N(CC)CC)ccc1C2c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 4/20 0.36
S1PR1 P21453 5/20 0.36
S100B P04271 1/20 0.36
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
CYP2C9 P11712 4/20 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 0.90 KDM1A (0.38) HTR2AHTR2CHTR2BALDH1A1CYP3A4
SCHEMBL21396621 0.78 S100B (0.42) ALDH1A1CYP3A4S1PR1S100BKDM4E
SCHEMBL3907415 0.71 MEN1 (0.44) ALDH1A1CYP3A4S1PR1S100BKDM4E
SCHEMBL11925345 0.68 MEN1 (0.39) ALDH1A1CYP3A4KDM4EMAPTHSD17B10
SCHEMBL24591429 0.68 SLC2A1 (0.35) ALDH1A1S100BKDM4EMAPTGAA
SCHEMBL4894950 0.67 CYP3A4 (0.53) ALDH1A1CYP3A4S100BKDM4EMAPT
SCHEMBL21396807 0.67 CYP3A4 (0.45) ALDH1A1CYP3A4S1PR1S100BKDM4E
SCHEMBL29068514 0.66 TERT (0.43) ALDH1A1CYP3A4S1PR1S100BKDM4E
SCHEMBL24591452 0.65 S100B (0.40) ALDH1A1CYP3A4S100BMAPTHSD17B10
SCHEMBL8863622 0.65 HSD17B10 (0.42) ALDH1A1CYP3A4S1PR1S100BKDM4E

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