SCHEMBL15057790

SCHEMBL15057790

Nc1c(C(=O)O)ccc(F)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
TTR P02766 1/20 0.44
G6PD P11413 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
ACLY P53396 5/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL10430504 0.88 MAP2 (0.47) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL28166374 0.86 AKR1C2 (0.45) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL27970933 0.83 MAPT (0.47) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL5793392 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL30848253 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL15060463 0.80 CASP7 (0.53) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL2462914 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3824310 0.80 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3824173 0.78 FABP4 (0.54) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL27879744 0.77 BCAT2 (0.46) MEN1KMT2AKDM4EMAP2

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-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed