SCHEMBL14748312

SCHEMBL14748312

Cc1sc(C(=O)O)cc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
DAO P14920 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIN1 Q13526 1/20 0.45
RORC P51449 2/20 0.43
RORB Q92753 2/20 0.43
SLC9A1 P19634 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
KMO O15229 1/20 0.41
MAP4K4 O95819 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 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
SCHEMBL1797326 0.84 KDM4E (0.55) KMT2ADAOKDM4EMEN1ALDH1A1
SCHEMBL10109878 0.83 MAPK14 (0.46) KMT2AKDM4EALDH1A1NPC1POLB
SCHEMBL424378 0.82 RAB9A (0.43) KMT2ADAOMEN1NPC1POLB
SCHEMBL13285423 0.82 POLB (0.43) KMT2AMEN1ALDH1A1NPC1POLB
SCHEMBL14748324 0.79 HPGD (0.52) KMT2ADAOKDM4EMEN1ALDH1A1
SCHEMBL6255667 0.74 ALDH1A1 (0.52) KMT2ADAOKDM4EMEN1ALDH1A1
SCHEMBL424173 0.73 PTGDR2 (0.49) MAPTPIN1
SCHEMBL5924981 0.73 DAO (0.50) KMT2ADAOKDM4EMEN1ALDH1A1
SCHEMBL3754699 0.73 HPGDS (0.69) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL34469599 0.73 MAPK14 (0.58) KMT2ADAOKDM4EMEN1ALDH1A1

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-2376482-B1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2013-03-06 EP disclosed