SCHEMBL2728808

SCHEMBL2728808

Cc1n[nH]c(C)c1NCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 6/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.42
KCNH3 Q9ULD8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 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
SCHEMBL15452741 0.75 NR1H4 (0.35) SMN1; SMN2L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2729393 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL2730002 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL2729665 0.70 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL31550805 0.68 ADORA3 (0.40) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL2729473 0.67 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1TSHRALDH1A1RAB9A
SCHEMBL18690997 0.67 KCNH3 (0.48) SMN1; SMN2L3MBTL1TSHRALDH1A1HPGD
SCHEMBL10752749 0.67 MAPK1 (0.54) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL27909931 0.66 HDAC3 (0.58) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL14869580 0.66 KCNH3 (0.62) SMN1; SMN2L3MBTL1TSHRALDH1A1KDM4E

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