SCHEMBL13715319

SCHEMBL13715319

COc1ccccc1CSc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
NR3C1 P04150 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.44
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 3/20 0.43

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
SCHEMBL8611008 0.86 SMN1; SMN2 (0.55) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL28543149 0.85 HPGD (0.58) MAPTNPSR1LMNAALOX12KMT2A
SCHEMBL28104545 0.85 SMN1; SMN2 (0.48) MAPTNPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL28104581 0.83 QRFPR (0.45) MAPTNPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL10300219 0.79 KDM4E (0.46) MAPTNPSR1LMNASMN1; SMN2KDM4E
SCHEMBL28104285 0.78 SMN1; SMN2 (0.48) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13577098 0.76 TAAR1 (0.44) MAPTNPSR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13438091 0.75 RAB9A (0.81) MAPTNPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL11821393 0.75 GAA (0.44) MAPTNPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL7341529 0.74 IDO1 (0.55) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1

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
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed