SCHEMBL9564020

SCHEMBL9564020

COc1ccc(CC(=S)S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CTBP2 P56545 1/20 0.47
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CALM1 P0DP23 1/20 0.46

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
SCHEMBL10969285 0.81 ALDH1A1 (0.55) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL2273408 0.81 ALDH1A1 (0.55) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL5901677 0.79 ALDH1A1 (0.53) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL2273405 0.79 HTT (0.63) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL18763976 0.76 TAAR1 (0.52) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL8134521 0.76 ALDH1A1 (0.50) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL3665017 0.76 HTT (0.59) IDO1ALDH1A1HTTPKMSMN1; SMN2
SCHEMBL27383168 0.75 HTT (0.63) ALDH1A1HTTPKMSMN1; SMN2KDM4E
SCHEMBL8980476 0.75 HTT (0.63) ALDH1A1HTTPKMSMN1; SMN2KDM4E
SCHEMBL12437151 0.75 ALDH1A1 (0.49) IDO1ALDH1A1HTTPKMSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed