SCHEMBL10986929

SCHEMBL10986929

Cn1c(-c2ccccc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
RAB9A P51151 4/20 0.71
PKM P14618 3/20 0.71
RXFP1 Q9HBX9 1/20 0.71
LMNA P02545 5/20 0.62
MAPT P10636 4/20 0.62
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 1/20 0.62
APOBEC3A P31941 1/20 0.62
HTT P42858 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
CYP19A1 P11511 1/20 0.59
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
POLB P06746 1/20 0.51
AHR P35869 1/20 0.51

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
SCHEMBL20982763 0.93 ALDH1A1 (0.72) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL20982760 0.88 ALDH1A1 (0.69) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL17199218 0.86 ALDH1A1 (0.64) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL10175106 0.86 ALDH1A1 (0.56) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL12217716 0.83 ALDH1A1 (0.60) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL2247368 0.83 ALDH1A1 (1.00) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL28362560 0.83 ALDH1A1 (0.62) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL20982526 0.81 RAB9A (0.72) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL588563 0.81 RAB9A (0.62) ALDH1A1RAB9APKMRXFP1LMNA
SCHEMBL30060554 0.80 ALDH1A1 (0.62) ALDH1A1RAB9APKMRXFP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 US claimed
US-20210371992-A1 ELECTROCHEMICAL ORGANIC REACTION SETUP AND METHODS PIRAMAL PHARMA LIMITED (IN) 2021-12-02 US disclosed