SCHEMBL2729665

SCHEMBL2729665

Cc1cn[nH]c1NCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 5/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
GBA1 P04062 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
RAB9A P51151 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 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
SCHEMBL2729393 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2729473 0.70 SMN1; SMN2 (0.47) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2728808 0.70 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2730515 0.69 L3MBTL1 (0.53) SMN1; SMN2TSHRALDH1A1L3MBTL1RAB9A
SCHEMBL7257480 0.67 USP1 (0.59) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2730002 0.67 SMN1; SMN2 (0.47) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL27909931 0.66 HDAC3 (0.58) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL22768561 0.66 EGFR (0.42) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL22083962 0.66 TDO2 (0.60)
SCHEMBL22191610 0.66 HDAC3 (0.61) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635572-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2013-09-11 EP disclosed
CN-103201279-A Compounds useful as modulators of TRPM8 SENOMYX INC 2013-07-10 CN disclosed
WO-2012061698-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-09-13 WO disclosed
WO-2012061698-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-05-10 WO disclosed