SCHEMBL27989596

SCHEMBL27989596

CC(C)(C)OC(=O)Nc1cnc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.49
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SYK P43405 1/20 0.44
AR P10275 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
PAX8 Q06710 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
KAT6A Q92794 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL240482 0.78 TRPV1 (0.61) LMNAPOLBTRPV1PAX8HDAC4
Ammonia Solution, Strong SCHEMBL27989598 0.78 PSMD14 (0.48) RORCLMNAPOLBAR
SCHEMBL30398203 0.77 AR (0.48) RORCLMNAPOLBSYKAR
SCHEMBL909598 0.77 AR (0.48) RORCLMNAPOLBARNAMPT
SCHEMBL21494643 0.76 AR (0.48) RORCLMNAPOLBSYKAR
SCHEMBL14959644 0.74 AR (0.69) AR
SCHEMBL23147917 0.74 AR (0.43) RORCSYKARRXFP1NAMPT
SCHEMBL846497 0.73 CNR2 (0.47) RORCPOLBSYKTRPV1HDAC4
SCHEMBL5865312 0.73 HSP90AA1 (0.53) LMNATRPV1NAMPT
SCHEMBL4166321 0.73 EGFR (0.49) SYK

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-104163798-A Synthesis method of 3-amino-8-trifluoromethyl quinoline SUZHOU KANGRUN PHARMACEUTICALS INC 2014-11-26 CN disclosed