SCHEMBL9119192

SCHEMBL9119192

Cc1ccc(N)c(C(=O)O)c1.Cc1ccc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42

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
Acetic Acid SCHEMBL9117852 0.81 PIN1 (0.50) PIN1MAPTUSP2NPC1PTGS2
SCHEMBL9118973 0.81 USP2 (0.62) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL31022638 0.81 KMT2A (0.63) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL221528 0.81 KMT2A (0.63) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL9117926 0.80 KDM4E (0.44) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL9117837 0.80 KDM4E (0.66) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL9118865 0.80 F7 (0.60) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL9118879 0.80 KEAP1 (0.66) KMT2AKDM4EGFERRXFP1MAPT
SCHEMBL10800691 0.79 KMT2A (0.61) KMT2AKDM4EGFERRXFP1MAPT
Nitrogen SCHEMBL28647368 0.78 KMT2A (0.59) KMT2AKDM4EGFERRXFP1MAPT

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
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed