SCHEMBL8545405

SCHEMBL8545405

O=[N+]([O-])c1ccc2[nH]cc(Cn3ccnc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.65
CYP19A1 P11511 11/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
NQO2 P16083 1/20 0.48
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
SNCA P37840 1/20 0.46
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45

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
SCHEMBL11387455 0.79 TBXAS1 (1.00) TBXAS1CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL11349273 0.79 TBXAS1 (0.72) TBXAS1CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL11493719 0.79 TBXAS1 (0.72) TBXAS1CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL11488802 0.79 TBXAS1 (0.72) TBXAS1CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL11494396 0.79 TBXAS1 (0.72) TBXAS1CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL8580515 0.77 CYP19A1 (0.53) TBXAS1CYP19A1KMT2AMEN1CYP11B1
SCHEMBL29106569 0.76 CYP19A1 (0.62) CYP19A1KMT2ACYP11B1CYP11B2CDK1
SCHEMBL6998678 0.76 CYP19A1 (0.66) CYP19A1KMT2ACYP11B1CYP11B2CDK1
SCHEMBL14473096 0.76 CYP19A1 (0.62) CYP19A1KMT2ACYP11B1CYP11B2CDK1
SCHEMBL27929617 0.76 NQO2 (0.61) KMT2AMEN1SMN1; SMN2NQO2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed