SCHEMBL10854905

SCHEMBL10854905

Cc1c(Cc2ncc[nH]2)sc2cc(C#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 6/20 0.38
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ APP P05067 1/20 0.32
▸ TBXAS1 P24557 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ DYRK1A Q13627 1/20 0.30
▸ MIF P14174 1/20 0.30

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
SCHEMBL10860365 0.86 ASIC3 (0.41) TAAR1ABCC8KCNJ11HTR1ACYP19A1
SCHEMBL10858086 0.81 TAAR1 (0.40) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10855300 0.78 TBXAS1 (0.54) TAAR1HTR1ATBXAS1DYRK1A
SCHEMBL17341212 0.75 CYP2A6 (0.39) APPTBXAS1LIMK1DYRK1AMIF
SCHEMBL10854472 0.74 AR (0.41) CYP19A1CYP11B1CYP11B2
SCHEMBL10856351 0.73 ADRA2A (0.45) TAAR1ABCC8KCNJ11HTR1ACYP19A1
SCHEMBL1507905 0.72 TAAR1 (0.61) TAAR1HTR1ACYP19A1ADRA2AADRA2B
SCHEMBL149468 0.71 TBXAS1 (0.54) TAAR1HTR1ATBXAS1DYRK1A
SCHEMBL11168704 0.71 TBXAS1 (0.41) TAAR1HTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8307737 0.70 TAAR1 (0.59) TAAR1HTR1ACYP19A1ADRA2AADRA2B

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-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 — — EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 — — US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 — — US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 — — EP disclosed
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