SCHEMBL31435477

SCHEMBL31435477

CNC(=O)Cc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL25409660 1.00 CYP2C19 (0.45) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL23861174 0.82 PDGFRB (0.56) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL30443482 0.82 PDGFRB (0.56) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL31232927 0.81 CYP1A2 (0.55) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL25410628 0.81 CYP1A2 (0.55) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL25407643 0.80 MEN1 (0.46) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL31232898 0.80 KMT2A (0.41) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL30599924 0.80 MEN1 (0.46) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL25408884 0.80 KMT2A (0.41) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL17006473 0.79 SETDB1 (0.51) CYP2C19POLBMEN1KMT2ARAB9A

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-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN disclosed