SCHEMBL15085702

SCHEMBL15085702

COC(=O)c1csc(NC(=O)CNCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
ELOVL1 Q9BW60 1/20 0.45
PARP1 P09874 1/20 0.45
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MMP2 P08253 1/20 0.44

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
Hydrochloric Acid SCHEMBL11311385 0.81 MAPK1 (0.64) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL27743102 0.80 MAPK1 (0.48) LMNAGAANPC1RAB9AMEN1
SCHEMBL14026892 0.79 ELOVL1 (0.72) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL27743104 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EELOVL1
SCHEMBL3816209 0.75 NPC1 (0.49) LMNAGAANPC1RAB9AMEN1
SCHEMBL3813898 0.75 NPC1 (0.49) LMNAGAANPC1RAB9AMEN1
SCHEMBL3813895 0.75 NPC1 (0.49) LMNAGAANPC1RAB9AMEN1
SCHEMBL1355755 0.75 CYP1A2 (0.59) LMNAGAANPC1RAB9AKMT2A
SCHEMBL7301734 0.73 SMN1; SMN2 (0.67) LMNAGAANPC1RAB9AMEN1
SCHEMBL1358311 0.72 KDM4E (0.67) LMNAGAANPC1RAB9ASMN1; SMN2

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-8481577-B2 Amide thiazole derivative, preparation method and uses thereof TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2013-07-09 US disclosed