SCHEMBL7375757

SCHEMBL7375757

COc1cc([N+](=O)[O-])ccc1-c1nc(C)c(-c2cccnc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
CYP19A1 P11511 3/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
ALPL P05186 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AMY1A P0DUB6 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.42

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
SCHEMBL7369850 0.92 RAB9A (0.52) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL7371110 0.84 PDGFRB (0.46) RAB9ACYP11B1CYP11B2MAPTCYP1A2
SCHEMBL7369432 0.83 ABCB1 (0.41) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL7371561 0.83 PDE2A (0.56) RAB9ACYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL5594741 0.82 CA12 (0.48) CYP1A2CYP3A4MKNK1MKNK2PDGFRB
Hydrochloric Acid SCHEMBL7370882 0.82 PDE2A (0.55) RAB9ACYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL7370258 0.82 MKNK1 (0.46) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL7365284 0.81 PDGFRB (0.51) RAB9ACYP11B1CYP11B2MAPTCYP1A2
SCHEMBL7370676 0.80 PDGFRB (0.41) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL7374146 0.80 PDGFRB (0.43) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1

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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed