SCHEMBL7305710

SCHEMBL7305710

Cc1ccc([N+](=O)[O-])c(CN)c1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
KAT2B Q92831 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3631173 0.84 KAT2B (0.44) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL13236290 0.83 TSHR (0.50) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL16129107 0.81 TSHR (0.48) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL10756385 0.81 TSHR (0.48) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL29800961 0.81 TSHR (0.48) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL10761199 0.81 TSHR (0.48) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL7466959 0.80 TSHR (0.49) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL8385612 0.80 TSHR (0.43) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL27801706 0.79 TSHR (0.46) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL
SCHEMBL9203388 0.78 TSHR (0.58) TSHRSMN1; SMN2CYP3A4ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016175-B Imidazoquinoline antithrombin cardiotonic agents BRISTOL MYERS CO (US) 1992-04-08 CN disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
CN-86102747-A The preparation method of imidazoquinoline antithombogehic cardiotonic agents 1987-02-04 CN disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed