SCHEMBL21386687

SCHEMBL21386687

COc1cc(OC)c(Cl)c(/C=C/Br)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ HMGCR P04035 1/20 0.32
▸ CYP1A1 P04798 5/20 0.32
▸ CYP1B1 Q16678 5/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30

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
SCHEMBL21386595 0.89 GAA (0.36) GAAALDH1A1KDM4ECYP3A4HMGCR
SCHEMBL12311289 0.72 ACHE (0.42) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL12348450 0.71 GAA (0.44) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL20094055 0.69 GAA (0.39) GAAALDH1A1KDM4EMAPTCYP3A4
SCHEMBL3475991 0.69 CYP1A1 (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1359479 0.69 ALDH1A1 (0.50) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL3475990 0.69 CYP1A1 (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1822491 0.67 GAA (0.47) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL21386608 0.66 GAA (0.33) GAAALDH1A1KDM4EPRKDCNFE2L2
SCHEMBL19708742 0.65 GAA (0.43) GAAALDH1A1KDM4EMAPTCYP3A4

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
EP-3543227-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Guangdong Zhongsheng Pharmaceutical Co., Ltd (CN) 2019-09-25 — — EP disclosed
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