SCHEMBL9527563

SCHEMBL9527563

COc1cccc(CC(=S)SCC(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CTBP2 P56545 1/20 0.55
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
MMP13 P45452 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL229067 0.81 PTGS1 (0.67) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL29824310 0.81 PTGS1 (0.67) CYP1A2CTBP2KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL8693464 0.80 CTBP2 (0.65) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL8218805 0.80 CTBP2 (0.65) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL2705455 0.80 PAM (0.67) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL9270423 0.78 CTBP2 (0.58) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL6788100 0.78 CYP1A2 (1.00) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL9564049 0.77 CTBP2 (0.55) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL31249652 0.77 SMN1; SMN2 (0.61) CYP1A2CTBP2KMT2AMEN1USP2
SCHEMBL378705 0.77 SMN1; SMN2 (0.61) CYP1A2CTBP2KMT2AMEN1USP2

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-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
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