SCHEMBL32679563

SCHEMBL32679563

O=C(Oc1ccc([N+](=O)[O-])cc1)C1=CCCC2CCN12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HGFAC Q04756 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 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
SCHEMBL32679582 0.82 RAB9A (0.46) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL4667683 0.71 RAB9A (0.46) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL7554344 0.68 CHRNA7 (0.67) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2908118 0.68 CHRNA7 (0.66) CYP1A2CYP2D6
SCHEMBL4951809 0.67 KMT2A (0.84) KMT2APKMMAPTGAAALDH1A1
SCHEMBL18434657 0.67 KMT2A (0.84) KMT2APKMMAPTGAAALDH1A1
SCHEMBL542043 0.67 KMT2A (0.84) KMT2APKMMAPTGAAALDH1A1
SCHEMBL10636579 0.67 KMT2A (0.84) KMT2APKMMAPTGAAALDH1A1
SCHEMBL1769204 0.67 KMT2A (0.59) CYP1A2CYP2D6KMT2APKMMAPT
SCHEMBL4018355 0.67 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1POLB

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-121181573-B Cephalosporium containing C-3 tetrahydrofuran derivative and application thereof 重庆汉佩生物科技有限公司 2026-02-27 CN disclosed