SCHEMBL8954174

SCHEMBL8954174

CC(=S)C(CO)c1cncn1Cc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ CYP19A1 P11511 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ATM Q13315 1/20 0.33

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
SCHEMBL9213182 0.90 CYP19A1 (0.39) GPBAR1CYP19A1P2RX7ACP1RAB9A
Hydrochloric Acid SCHEMBL8971928 0.89 CYP19A1 (0.38) GPBAR1CYP19A1P2RX7ACP1RAB9A
SCHEMBL9214006 0.87 GPBAR1 (0.40) GPBAR1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9531170 0.77 GPBAR1 (0.41) GPBAR1RAB9AMEN1KMT2ALMNA
SCHEMBL6929338 0.72 CYP11B1 (0.51) GPBAR1CYP19A1P2RX7ACP1RAB9A
SCHEMBL7382228 0.71 ACE2 (0.43) GPBAR1RAB9AMEN1KMT2APOLB
SCHEMBL1951714 0.69 CYP11B1 (0.69) P2RX7RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10795646 0.67 SMN1; SMN2 (0.44) GPBAR1CYP19A1P2RX7ACP1RAB9A
Hydrochloric Acid SCHEMBL6926762 0.66 SMN1; SMN2 (0.47) GPBAR1CYP19A1P2RX7ACP1RAB9A
SCHEMBL9491394 0.65 CYP11B1 (0.52) GPBAR1CYP19A1P2RX7ACP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 — — US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 — — US disclosed
EP-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 — — EP disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS — 1993-11-10 — — EP disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 — — US disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 — — EP disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 — — EP disclosed
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