SCHEMBL8209525

SCHEMBL8209525

Cc1cc(C(=O)NC(Cc2ccccc2)C2=COCO2)c(N)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 4/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
TACR3 P29371 1/20 0.35
HPGDS O60760 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL8207229 0.89 ALOX15 (0.40) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL8199872 0.88 TAAR1 (0.44) KMT2AMAPTALDH1A1ALOX15GAA
SCHEMBL8211806 0.88 PYGL (0.36) KMT2AMAPTALDH1A1GAAGFER
SCHEMBL8212891 0.87 ALDH1A1 (0.40) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL8200315 0.87 ALOX15 (0.40) KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL8212479 0.83 MAPT (0.38) KMT2AMAPTALDH1A1GAAHPGDS
SCHEMBL8210397 0.81 KDM4E (0.41) KMT2AMAPTALDH1A1HSD17B10GAA
SCHEMBL7881616 0.80 LMNA (0.36) KMT2AMAPTGAASMN1; SMN2POLB
SCHEMBL8200147 0.78 REV1 (0.38) KMT2AMAPTALDH1A1GAASMN1; SMN2
SCHEMBL8206432 0.76 TAAR1 (0.54) KMT2AMAPTALDH1A1ALOX15HSD17B10

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed