SCHEMBL2187612

SCHEMBL2187612

c1csc(-c2ccc(Cc3ncc[nH]3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
TAAR1 Q96RJ0 7/20 0.57
LTA4H P09960 2/20 0.50
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NTRK1 P04629 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
PBK Q96KB5 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL13372830 0.79 TAAR1 (0.80) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL5935186 0.78 TAAR1 (0.79) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL18770350 0.76 CYP17A1 (1.00) CYP17A1CYP11B1CYP11B2LTA4HPRMT6
SCHEMBL954267 0.74 TAAR1 (0.53) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10630560 0.74 TAAR1 (0.62) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL7623741 0.74 TAAR1 (0.62) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL9243 0.73 TAAR1 (1.00) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL6165760 0.73 TAAR1 (0.71) CYP17A1CYP11B1CYP11B2TAAR1HTR1A
SCHEMBL31414967 0.72 TAAR1 (0.75) TAAR1HTR1AADRA2AADRA2BADRA2C
Bromide SCHEMBL29135558 0.72 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790716-A1 ANGIOTENSINS FOR TREATMENT OF FIBROSIS Tarix Pharmaceuticals Ltd. (US) 2014-10-22 EP claimed
WO-2013090833-A1 ANGIOTENSINS FOR TREATMENT OF FIBROSIS TARIX PHARMACEUTICALS LTD. (US) 2013-06-20 WO claimed
EP-4284779-A1 METHODS AND AGENTS THAT STIMULATE MITOCHONDRIAL TURNOVER FOR TREATING DISEASE Capacity Bio, Inc. (US) 2023-12-06 EP disclosed
WO-2022165189-A1 METHODS AND AGENTS THAT STIMULATE MITOCHONDRIAL TURNOVER FOR TREATING DISEASE Capacity Bio, Inc. (US) 2022-08-04 WO disclosed
WO-2016010844-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF STROKE TARIX PHARMACEUTICALS LTD (US) 2016-01-21 WO disclosed
EP-2790716-A1 ANGIOTENSINS FOR TREATMENT OF FIBROSIS Tarix Pharmaceuticals Ltd. (US) 2014-10-22 EP disclosed
WO-2013090833-A1 ANGIOTENSINS FOR TREATMENT OF FIBROSIS TARIX PHARMACEUTICALS LTD. (US) 2013-06-20 WO disclosed
EP-2341938-A2 USE OF AN ANG-(1-7) RECEPTOR AGONIST IN ACUTE LUNG INJURY Charité - Universitätsmedizin Berlin (DE) 2011-07-13 EP disclosed
WO-2010028845-A2 USE OF AN ANG-(1-7) RECEPTOR AGONIST IN ACUTE LUNG INJURY CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2010-03-18 WO disclosed