SCHEMBL28111436

SCHEMBL28111436

COc1cccc2c(OC)c(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 1/20 0.41
PNMT P11086 1/20 0.41
EP300 Q09472 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SYK P43405 1/20 0.39
NQO2 P16083 1/20 0.39
TUBB1 Q9H4B7 3/20 0.38
TUBB4A P04350 1/20 0.38

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
SCHEMBL7219358 0.83 KDM4E (0.50) SMN1; SMN2ALDH1A1KDM4EMAPK1CA12
SCHEMBL17912823 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1
SCHEMBL28007983 0.80 IDO1 (0.44) ALDH1A1KDM4EMAPK1IDO1PNMT
SCHEMBL5759879 0.79 IDO1 (0.47) ALDH1A1KDM4EMAPK1IDO1PNMT
SCHEMBL23087367 0.79 HPGD (0.48) ALDH1A1KDM4EMAPK1IDO1PNMT
SCHEMBL12473426 0.79 CA1 (0.55) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1
SCHEMBL30678878 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1
SCHEMBL11310772 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1
SCHEMBL30504010 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1
SCHEMBL3747262 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPK1IDO1

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-104768960-B Electrochromic compounds, electrochromic compositions and display element 株式会社理光 2017-03-01 CN disclosed