SCHEMBL8800965

SCHEMBL8800965

c1ccc(SCn2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.55
CYP11B2 P19099 4/20 0.55
CYP19A1 P11511 4/20 0.55
TBXAS1 P24557 2/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
QPCT Q16769 1/20 0.55
CYP4Z1 Q86W10 1/20 0.55
QPCTL Q9NXS2 1/20 0.55
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
CYP17A1 P05093 1/20 0.49
HMOX2 P30519 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
SCHEMBL10828637 0.82 AGER (0.55) POLB
SCHEMBL12045326 0.82 TP53 (0.71) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
Hydrochloric Acid SCHEMBL9996062 0.81 TP53 (0.69) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL12045327 0.80 TP53 (0.67) CYP19A1TBXAS1KDM4ETP53TSHR
Hydrochloric Acid SCHEMBL9996047 0.78 TP53 (0.65) CYP19A1TBXAS1KDM4ETP53TSHR
SCHEMBL6671107 0.78 TP53 (0.74) CYP19A1TBXAS1KDM4ETP53TSHR
Hydrochloric Acid SCHEMBL9996111 0.77 TP53 (0.72) CYP19A1TBXAS1KDM4ETP53TSHR
SCHEMBL11011926 0.75 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL11086829 0.74 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL1540625 0.74 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP disclosed