Nitrobenzene

Nitrobenzene

SCHEMBL28085437

Cc1c(C(=O)O)ccc(OCc2ccccc2)c1C(=O)O.O=[N+]([O-])c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSV O60911 5/20 0.48
CTSL P07711 5/20 0.48
CYP19A1 P11511 2/20 0.48
PPIA P62937 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PPIF P30405 1/20 0.44
FOLH1 Q04609 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL27550697 0.89 PTGER1 (0.60) PTGER1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1162221 0.83 PTGER1 (0.54) PTGER1MEN1KMT2AMAPTCYP2C9
Styrene SCHEMBL27871650 0.80 PTGER1 (0.51) PTGER1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL21402679 0.79 CTSV (0.53) PTGER1MEN1KMT2AMAPTCYP2C9
Nitrobenzene SCHEMBL28097576 0.78 TDP1 (0.50) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL9540402 0.78 L3MBTL1 (0.67) PTGER1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL383027 0.78 L3MBTL1 (0.56) PTGER1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL27508330 0.77 MEN1 (0.54) PTGER1MEN1KMT2AMAPTCTSV
SCHEMBL1647948 0.77 CYP19A1 (0.64) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL1319458 0.77 CTSV (0.63) MEN1KMT2AMAPTL3MBTL1CTSV

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
CN-105886476-A Compositions and methods for enhancing virus efficacy 渥太华医院研究所 2016-08-24 CN disclosed