SCHEMBL11082155

SCHEMBL11082155

Fc1ccc(Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 1.00
CYP11B2 P19099 11/20 1.00
CYP19A1 P11511 7/20 1.00
CYP2A6 P11509 1/20 0.70
CYP2B6 P20813 1/20 0.70
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
TBXAS1 P24557 1/20 0.67
QPCT Q16769 1/20 0.67
CYP4Z1 Q86W10 1/20 0.67
QPCTL Q9NXS2 1/20 0.67
CYP17A1 P05093 1/20 0.64

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
SCHEMBL1024261 0.90 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.88 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6057476 0.84 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2529997 0.84 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL570342 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2729830 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2719265 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
SCHEMBL16719036 0.81 CYP19A1 (0.81) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL2393534 0.81 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL77025 0.81 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216315-A Flavones glyoxaline compound and preparation method thereof 盐城师范学院 2017-09-29 CN claimed
CN-107428752-B Home chemokine inhibiting compounds 癌症研究科技有限公司 2021-06-29 CN disclosed
CN-107216315-A Flavones glyoxaline compound and preparation method thereof 盐城师范学院 2017-09-29 CN disclosed
CN-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 CN disclosed
CN-101878219-A Imidazothiadiazoles for use as protein kinase inhibitors CT NAC DE INVESTIGACIONES ONCO 2010-11-03 CN 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-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 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