SCHEMBL28559709

SCHEMBL28559709

CCOC(=O)C1CC=C(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
AR P10275 3/20 0.46
MAPK1 P28482 2/20 0.45
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3248056 0.88 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL29126850 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL38657760 0.82 ALOX15 (0.43) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2511600 0.82 CDK9 (0.52) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL15897676 0.82 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL16477199 0.82 ALOX15 (0.43) ALDH1A1SMN1; SMN2KMT2AMAPK1RAB9A
SCHEMBL2511601 0.82 CDK9 (0.52) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL2508847 0.82 ATM (0.47) ALDH1A1SMN1; SMN2PKMKMT2AMAPK1
SCHEMBL2508849 0.82 ATM (0.47) ALDH1A1SMN1; SMN2PKMKMT2AMAPK1
SCHEMBL8993502 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAPKMHTT

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
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
CN-112142747-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2024-03-01 CN disclosed
CN-112142747-A Pyrazolone pyrimidine compound, preparation method and application thereof 上海医药集团股份有限公司 2020-12-29 CN disclosed