SCHEMBL9075946

SCHEMBL9075946

Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCOc1ccc(NC(=O)c3ccc(NC(=N)N)cc3)cc1C(F)(F)F)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
CYP4F2 P78329 1/20 0.40
NR1I2 O75469 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
TTPA P49638 2/20 0.38
GSTP1 P09211 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
S1PR1 P21453 2/20 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
Hydrochloric Acid SCHEMBL9075111 0.99 BRAF (0.39) BRAFRAF1ARAFCYP4F2NR1I2
SCHEMBL9073519 0.96 MEN1 (0.39) BRAFRAF1ARAFCYP4F2NR1I2
Hydrochloric Acid SCHEMBL9075956 0.95 MEN1 (0.39) BRAFRAF1ARAFCYP4F2NR1I2
SCHEMBL9074780 0.94 BRAF (0.39) BRAFRAF1ARAFCYP4F2NR1I2
SCHEMBL9558659 0.93 CYP4F2 (0.44) CYP4F2NR1I2ALOX5MAPTMEN1
Hydrochloric Acid SCHEMBL9224276 0.93 BRAF (0.38) BRAFRAF1ARAFCYP4F2NR1I2
Hydrochloric Acid SCHEMBL9075339 0.93 CYP4F2 (0.44) CYP4F2NR1I2ALOX5MAPTMEN1
SCHEMBL9074769 0.90 BRAF (0.38) BRAFRAF1ARAFNR1I2ALOX5
Hydrochloric Acid SCHEMBL9075209 0.89 BRAF (0.38) BRAFRAF1ARAFNR1I2ALOX5
SCHEMBL9073406 0.89 CYP4F2 (0.37) CYP4F2NR1I2ALOX5MAPTMEN1

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
US-5508450-A INHIBITORY EFFECT ON MAILLARD REACTION AND ANTIOXIDIZING EFFECT; TREATS OR PREVENTS DIABETIC COMPLICATIONS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US claimed