SCHEMBL1954450

SCHEMBL1954450

Nc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O.Nc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
KDM4E B2RXH2 2/20 1.00
GFER P55789 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00
MCL1 Q07820 6/20 0.65
TDP1 Q9NUW8 3/20 0.65
MEN1 O00255 2/20 0.65
USP2 O75604 1/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.65
THRB P10828 1/20 0.65
PKM P14618 1/20 0.65
APEX1 P27695 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
GLA P06280 1/20 0.63
KEAP1 Q14145 1/20 0.63
IKBKB O14920 1/20 0.62
ALDH1A1 P00352 2/20 0.61
CDC25B P30305 1/20 0.61

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
SCHEMBL29498389 1.00 KMT2A (1.00) KMT2AKDM4EGFERRXFP1MCL1
SCHEMBL352643 1.00 KMT2A (1.00) KMT2AKDM4EGFERRXFP1MCL1
Hydrochloric Acid SCHEMBL8024368 0.98 KMT2A (0.95) KMT2AKDM4EGFERRXFP1MCL1
Ammonia Solution, Strong SCHEMBL5271744 0.98 KMT2A (0.95) KMT2AKDM4EGFERRXFP1MCL1
SCHEMBL3865083 0.98 KMT2A (0.95) KMT2AKDM4EGFERRXFP1MCL1
Methane SCHEMBL29001097 0.98 KMT2A (0.95) KMT2AKDM4EGFERRXFP1MCL1
Water SCHEMBL28033099 0.98 KMT2A (0.95) KMT2AKDM4EGFERRXFP1MCL1
SCHEMBL30030661 0.92 KDM4E (0.84) KMT2AKDM4EGFERRXFP1MCL1
SCHEMBL1708790 0.92 KDM4E (0.84) KMT2AKDM4EGFERRXFP1MCL1
SCHEMBL10713802 0.92 KMT2A (0.84) KMT2AKDM4EGFERRXFP1MCL1

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
EP-2332529-A1 Substituted aromatic diamines as ligands of vesicular glutamate transporter 1 and 2 (vGLUT1 and vGLUT2) Grünenthal GmbH (DE) 2011-06-15 EP disclosed