SCHEMBL28488403

SCHEMBL28488403

C=Cc1ccc(Cc2cc(-c3ccncc3)ccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 13/20 0.40
CYP11B1 P15538 11/20 0.40
CYP11B2 P19099 11/20 0.40
CYP3A4 P08684 7/20 0.40
CYP19A1 P11511 6/20 0.40
PRMT6 Q96LA8 1/20 0.36
PRKCI P41743 1/20 0.35
FYN P06241 1/20 0.33
ERN1 O75460 1/20 0.33
PIK3CG P48736 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
SCHEMBL28133235 0.80 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL28243748 0.79 NOTUM (0.48) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
Hydrochloric Acid SCHEMBL28477394 0.78 CYP17A1 (0.41) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
Bromide SCHEMBL30008835 0.78 FYN (0.47) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL28486374 0.75 CYP17A1 (0.48) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL550506 0.74 MAPT (0.55) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL16290260 0.74 MAPT (0.55) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL8953846 0.74 MAPT (0.41) CYP3A4CYP19A1PRMT6PRKCIERN1
Hydrochloric Acid SCHEMBL28404833 0.74 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL27837412 0.72 L3MBTL1 (0.59)

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
CN-111564649-B Organic polymer flow battery system 中盐金坛盐化有限责任公司 2021-06-29 CN claimed
CN-111564649-A Organic polymer flow battery system 中盐金坛盐化有限责任公司 2020-08-21 CN claimed
CN-111564649-B Organic polymer flow battery system 中盐金坛盐化有限责任公司 2021-06-29 CN disclosed
CN-111564649-A Organic polymer flow battery system 中盐金坛盐化有限责任公司 2020-08-21 CN disclosed