SCHEMBL11276190

SCHEMBL11276190

O=[N+]([O-])OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
USP2 O75604 5/20 0.40
LMNA P02545 5/20 0.40
CYP3A4 P08684 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
HIF1A Q16665 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
IDO1 P14902 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
CYP17A1 P05093 1/20 0.40
PGR P06401 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
SCHEMBL11262282 0.92 USP2 (0.44) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11268228 0.90 ALDH1A1 (0.39) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11270420 0.88 MEN1 (0.41) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11268227 0.88 CYP3A4 (0.45) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11267974 0.88 CYP3A4 (0.42) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11260241 0.86 CYP3A4 (0.40) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11352234 0.83 ALDH1A1 (0.41) MEN1KMT2AUSP2LMNACYP3A4
Nitric Acid SCHEMBL11276185 0.82 L3MBTL1 (0.44) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11263596 0.81 CYP11B1 (0.45) MEN1KMT2AUSP2LMNACYP3A4
SCHEMBL11268613 0.81 OGG1 (0.43) MEN1KMT2AUSP2LMNACYP3A4

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