SCHEMBL31557573

SCHEMBL31557573

CC1(C)N([O-])c2ccccc2[N+]1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 4/20 0.57
MAPT P10636 5/20 0.53
MCL1 Q07820 3/20 0.53
APAF1 O14727 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOTUM Q6P988 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31

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
Hydrochloric Acid SCHEMBL3963006 0.53
Hydrochloric Acid SCHEMBL31674658 0.53
SCHEMBL7265976 0.52 ALDH1A1 (0.32) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL9591238 0.51 LMNA (0.50) MAPTMCL1CACNA1BAPBA1RAB9A
SCHEMBL5126303 0.51 SMN1; SMN2 (0.68) MAPTALDH1A1POLBKDM4EL3MBTL1
SCHEMBL22505286 0.51 MAOA (0.42) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL3303342 0.50 MEN1 (0.30) MEN1KMT2ALMNA
SCHEMBL9302191 0.49 CYP1A2 (0.41) MAPTAPAF1RAB9AALDH1A1MEN1
SCHEMBL30542152 0.49 P2RX4 (0.36) MCL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4571020 0.49 MAOA (0.60) MAPTMCL1CACNA1BAPBA1ALDH1A1

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-119745873-A Application of antitumor compound C11 深圳大学 2025-04-04 CN disclosed