SCHEMBL20095558

SCHEMBL20095558

COc1ccc(CN(Sc2cc(C(F)(F)F)c(F)cc2F)c2nccs2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL20096203 0.91 GAA (0.40) GAATSHRCYP1A2CYP3A4ALOX15
SCHEMBL20182504 0.87 GAA (0.41) GAATSHRCYP1A2CYP3A4ALOX15
SCHEMBL19634090 0.87 HTR2A (0.38) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL19001206 0.87 MEN1 (0.36) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL20095534 0.83 HTR2A (0.36) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL20256506 0.81 MEN1 (0.38) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL20256546 0.81 KDM4E (0.36) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL20063731 0.79 GAA (0.42) GAATSHRCYP1A2CYP3A4ALOX15
SCHEMBL19634121 0.79 MEN1 (0.36) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL20256502 0.79 CYP1A2 (0.38) GAATSHRCYP1A2CYP3A4ALOX15

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed