SCHEMBL11047192

SCHEMBL11047192

C=Cc1cccc(Cn2ccnc2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.64
CYP11B1 P15538 12/20 0.61
CYP11B2 P19099 10/20 0.61
ADRA2C P18825 1/20 0.61
CYP19A1 P11511 5/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
QPCT Q16769 1/20 0.58
CYP4Z1 Q86W10 1/20 0.58
QPCTL Q9NXS2 1/20 0.58

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
SCHEMBL9401580 0.85 TBXAS1 (0.68) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7291119 0.85 TBXAS1 (0.68) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL4066962 0.85 TBXAS1 (0.67) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL394308 0.84 CYP11B1 (0.83) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL6940691 0.81 CYP11B1 (0.64) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL28193196 0.80 FAAH (0.43) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7299629 0.80 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL8404966 0.80 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7385323 0.80 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7299635 0.80 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56016471-A None JP disclosed
US-4430445-A POLYAMIDINE HOHO- AND COPOLYMERS; OXIDATION RESISTANCE; METAL EXTRACTION; POLYEPOXIDE CURING AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-02-07 US disclosed
JP-S5616471-A NOVEL BASIC SUBSTANCE AND ITS PREPARATION ASAHI CHEM IND CO LTD 1981-02-17 JP disclosed