SCHEMBL28664458

SCHEMBL28664458

N=C1C=CC=C(c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2C P28335 1/20 0.31

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
SCHEMBL19834905 0.80 ALDH1A1 (0.35) ALDH1A1SIGMAR1CFTRGOPCHTR2C
SCHEMBL7821424 0.77 ALDH1A1 (0.32) ALDH1A1SIGMAR1CFTRGOPCHTR2C
SCHEMBL7823616 0.77 ALDH1A1 (0.32) ALDH1A1SIGMAR1CFTRGOPCNPC1
SCHEMBL28199530 0.77 CFTR (0.40) ALDH1A1SIGMAR1CFTRGOPCNPC1
SCHEMBL3982745 0.73 ALDH1A1 (0.47) ALDH1A1SIGMAR1CFTRGOPCNPC1
SCHEMBL7820798 0.72 HSD11B1 (0.32)
SCHEMBL7828430 0.72 KIF11 (0.36) ALDH1A1
SCHEMBL7813226 0.72 MEN1 (0.35) ALDH1A1MAPK1
SCHEMBL7825478 0.70 ALDH1A1 (0.38) ALDH1A1CFTRGOPCNPC1MAPK1
SCHEMBL19792116 0.70 ALDH1A1 (0.36) ALDH1A1SIGMAR1CFTRGOPCMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114053167-A Hair dye composition 朋友株式会社 2022-02-18 CN disclosed
CN-106389151-B Wool dyeing agent composition 朋友株式会社 2021-11-26 CN disclosed