SCHEMBL5266320

SCHEMBL5266320

NC(=O)c1cc2cccc([N+](=O)[O-])c2n1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GPR35 Q9HC97 2/20 0.39
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PLAU P00749 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SLC9A1 P19634 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL28294933 0.87 CCR2 (0.55) CCR2APEX1ALDH1A1TDP1MEN1
SCHEMBL27964872 0.75 CCR2 (0.58) CCR2APEX1ALDH1A1TDP1MEN1
SCHEMBL21313807 0.75 CCR2 (0.52) CCR2ALDH1A1MEN1KMT2A
SCHEMBL3255649 0.72 CCR2 (0.55) CCR2APEX1ALDH1A1TDP1TSHR
SCHEMBL28293100 0.71 CCR2 (0.46) CCR2ALDH1A1TDP1MEN1KMT2A
Acetic Acid SCHEMBL28750519 0.71 L3MBTL1 (0.44) CCR2ALDH1A1TDP1MEN1KMT2A
SCHEMBL7993476 0.69 CCR2 (0.64) CCR2APEX1ALDH1A1TDP1MEN1
SCHEMBL28205828 0.67 ALDH1A1 (0.47) APEX1ALDH1A1TDP1MEN1KMT2A
SCHEMBL6807284 0.67 GPR35 (0.61) ALDH1A1TDP1TSHRKDM4EGPR35
SCHEMBL3560535 0.67 NOD2 (0.48) CCR2ALDH1A1MEN1KMT2AKDM4E

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
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed