SCHEMBL31040071

SCHEMBL31040071

CNc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL194254 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1MEN1
Bromide SCHEMBL20984429 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL20984317 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL1961457 0.82 TDP1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL26654780 0.81 MAPT (0.47) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL8252961 0.81 KMT2A (0.43) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL3874113 0.81 CYP19A1 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7993363 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1MEN1
Nitric Acid SCHEMBL20984428 0.80 L3MBTL1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL5369486 0.80 KMT2A (0.50) ALDH1A1TDP1MAPK1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed