SCHEMBL9724784

SCHEMBL9724784

O=C(Nc1cccnc1)C(CS)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
MME P08473 5/20 0.54
RAB9A P51151 2/20 0.54
ACE P12821 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ECE1 P42892 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
BLM P54132 1/20 0.53
NPEPPS P55786 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.52
CPA3 P15088 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL6167389 0.87 ECE1 (0.51) PKMMMEACEALDH1A1ECE1
SCHEMBL7271417 0.86 MME (0.65) MMEACEALDH1A1ECE1HPGD
SCHEMBL5097467 0.85 MME (0.57) MMEACEALDH1A1ECE1HPGD
SCHEMBL26502092 0.84 PKM (0.65) PKMMMERAB9AALDH1A1MEN1
SCHEMBL7431259 0.82 FOLH1 (0.52) PKMRAB9AALDH1A1ECE1MAPT
SCHEMBL10801513 0.82 KMT2A (0.65) PKMMMEACEALDH1A1ECE1
Hydrochloric Acid SCHEMBL7432001 0.81 FOLH1 (0.51) PKMRAB9AALDH1A1ECE1MAPT
SCHEMBL9724847 0.81 PKM (0.65) PKMRAB9AALDH1A1MEN1KMT2A
SCHEMBL7428252 0.81 RAB9A (0.52) PKMRAB9AALDH1A1ECE1MEN1
SCHEMBL12335593 0.81 ANPEP (0.57) PKMRAB9ANPC1

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed