SCHEMBL19861616

SCHEMBL19861616

CCCOCN(C(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
METAP1 P53582 1/20 0.32
FFAR2 O15552 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CPB2 Q96IY4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15740655 0.88 TRPM8 (0.36) TRPM8L3MBTL1GAATSHRF2
SCHEMBL19015200 0.87 TRPM8 (0.33) TRPM8GAATSHRF2MEN1
SCHEMBL3654697 0.84 TRPM8 (0.39) TRPM8L3MBTL1GAATSHRF2
SCHEMBL6982226 0.79 TRPM8 (0.37) TRPM8GAATSHRF2MEN1
SCHEMBL4840789 0.79 PKM (0.40) TRPM8GAATSHRMEN1KMT2A
SCHEMBL8091312 0.75 ALDH1A1 (0.38) TRPM8GAATSHRMEN1KMT2A
SCHEMBL12744160 0.74 TRPM8 (0.35) TRPM8L3MBTL1GAATSHRF2
SCHEMBL1585657 0.74 FFAR2 (0.43) TRPM8GAATSHRMETAP1FFAR2
SCHEMBL27567713 0.73 METAP1 (0.36) TRPM8GAATSHRMEN1KMT2A
SCHEMBL21505859 0.72 SCN1A (0.53) TRPM8GAATSHRMEN1KMT2A

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-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed