SCHEMBL21396616

SCHEMBL21396616

CCN(CC)c1ccc2c(c1)Cc1cc(N(CC)CC)ccc1C2c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 4/20 0.37
HTR2A P28223 4/20 0.37
S1PR1 P21453 3/20 0.36
S100B P04271 1/20 0.36
AVPR2 P30518 1/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL21396517 0.90 HTR2A (0.38) ALDH1A1CYP3A4HTR2AS1PR1S100B
SCHEMBL3907415 0.81 MEN1 (0.44) KDM1ARCOR1ALDH1A1CYP3A4S1PR1
SCHEMBL21396621 0.80 S100B (0.42) ALDH1A1CYP3A4S1PR1S100BMAPT
SCHEMBL11925345 0.72 MEN1 (0.39) ALDH1A1CYP3A4MAPTGAATDP1
SCHEMBL24591429 0.71 SLC2A1 (0.35) ALDH1A1S100BMAPTGAAKDM4E
SCHEMBL18623959 0.71 MAPT (0.38) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL18623960 0.70 ALDH1A1 (0.34) ALDH1A1CYP3A4S1PR1MAPTGAA
SCHEMBL24591452 0.68 S100B (0.40) ALDH1A1CYP3A4S100BMAPTHSD17B10
SCHEMBL3419436 0.68 CYP1A2 (0.66) ALDH1A1CYP3A4MAPTGAATDP1
SCHEMBL4894950 0.68 CYP3A4 (0.53) ALDH1A1CYP3A4S100BMAPTGAA

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