SCHEMBL20140708

SCHEMBL20140708

Cc1cc(Br)cc(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
AAK1 Q2M2I8 3/20 0.37
AR P10275 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
EGFR P00533 1/20 0.33
GRM6 O15303 1/20 0.33

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
SCHEMBL7324883 0.83 LCK (0.39) LCKAAK1ARCYP2C9CYP2C19
SCHEMBL13548419 0.82 CYP2C9 (0.46) LCKARCYP2C9CYP2C19NPSR1
SCHEMBL24296963 0.80 CYP2C9 (0.43) LCKAAK1CYP2C9CYP2C19NPSR1
SCHEMBL1229320 0.80 KDM4E (0.43) KDM4EPKMHSD17B10MAPT
SCHEMBL277358 0.79 AAK1 (0.43) LCKAAK1CYP2C9CYP2C19NPSR1
SCHEMBL1605808 0.79 MAPT (0.43) AAK1ARCYP2C9CYP2C19NPSR1
SCHEMBL28652107 0.79 KDM4E (0.36) KDM4EPKMHSD17B10MAPT
SCHEMBL8055911 0.76 AKR1C4 (0.55) LCKARCYP2C9KDM4EHSD17B10
SCHEMBL31668173 0.76 AKR1C4 (0.55) LCKARCYP2C9KDM4EHSD17B10
SCHEMBL6350428 0.75 CYP2C9 (0.41) ARCYP2C9CYP2C19NPSR1EGFR

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed