SCHEMBL11278723

SCHEMBL11278723

COc1ccc(C(Cc2c(Cl)cccc2Cl)(Cn2ccnc2)O[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.39
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL11267955 0.90 HSP90AA1 (0.39) CYP19A1HSP90AA1MEN1KMT2AATM
SCHEMBL11263596 0.89 CYP11B1 (0.45) CYP19A1HSP90AA1MEN1KMT2ACYP11B1
SCHEMBL11268547 0.85 CYP19A1 (0.44) CYP19A1HSP90AA1MEN1KMT2ACYP11B1
SCHEMBL11266037 0.85 CYP19A1 (0.43) CYP19A1CYP11B1ALDH1A1IDO1
SCHEMBL11269493 0.84 CYP3A4 (0.44) CYP19A1HSP90AA1MEN1KMT2AALDH1A1
Nitric Acid SCHEMBL11278708 0.83 HSP90AA1 (0.43) CYP19A1HSP90AA1MEN1KMT2AATM
SCHEMBL11262282 0.80 USP2 (0.44) HSP90AA1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL11268176 0.79 CYP11B1 (0.45) CYP19A1HSP90AA1MEN1KMT2ACYP11B1
SCHEMBL11276190 0.77 MEN1 (0.40) HSP90AA1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL11272677 0.77 CYP19A1 (0.47) CYP19A1HSP90AA1MEN1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358458-A BACTERICIDE, FUNGICIDES NORDMARK-WERKE GMBH (DE) 1982-11-09 US disclosed