SCHEMBL7368423

SCHEMBL7368423

COc1cc([N+](=O)[O-])ccc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
KMT2A Q03164 2/20 0.46
ALPL P05186 1/20 0.45
ATM Q13315 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7365609 0.92 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2KMT2AALPL
SCHEMBL7370838 0.84 MKNK1 (0.46) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL7364571 0.83 ABCB1 (0.42) CYP19A1CYP11B1CYP11B2KMT2AMKNK1
SCHEMBL7370568 0.83 CYP3A4 (0.55) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL7372122 0.82 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2KMT2AALPL
SCHEMBL7370764 0.82 KDM4E (0.48) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL7370813 0.82 HTT (0.50) KMT2ASMN1; SMN2PKMALDH1A1RAB9A
SCHEMBL7371256 0.81 MKNK1 (0.42) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL7373136 0.81 POLB (0.51) CYP19A1CYP11B1CYP11B2KMT2AMKNK1
SCHEMBL7372273 0.81 MKNK1 (0.43) CYP19A1CYP11B1CYP11B2MKNK1MKNK2

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