SCHEMBL29915686

SCHEMBL29915686

Cc1[nH]c2ccccc2c1CC#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.63
SRC P12931 1/20 0.63
MAPT P10636 5/20 0.59
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 4/20 0.56
POLB P06746 1/20 0.56
GAA P10253 2/20 0.54
HTR6 P50406 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
AHR P35869 1/20 0.50
KRAS P01116 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 2/20 0.44
PABPC1 P11940 1/20 0.44

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
SCHEMBL7127234 1.00 EGFR (0.63) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL11603826 0.83 EGFR (0.65) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL6669255 0.80 EGFR (0.56) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL3221608 0.79 EGFR (0.59) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL28405021 0.79 EGFR (0.55) EGFRSRCMAPTHPGDL3MBTL1
SCHEMBL18383120 0.79 MAPT (0.69) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL6669729 0.79 EGFR (0.63) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL18301165 0.79 EGFR (0.63) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL5144476 0.78 EGFR (0.58) EGFRSRCMAPTCYP3A4ALDH1A1
SCHEMBL4257337 0.77 EGFR (0.61) EGFRSRC

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-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed