SCHEMBL9724924

SCHEMBL9724924

O=C(Nc1nc2ccccc2s1)C(CS)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
NCS1 P62166 1/20 0.54
ACP1 P24666 1/20 0.54
PTPN7 P35236 1/20 0.54
PTPN12 Q05209 1/20 0.54
PTPN13 Q12923 1/20 0.54
SSU72 Q9NP77 1/20 0.54
MEN1 O00255 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 2/20 0.53
ADORA1 P30542 1/20 0.52
DYRK1A Q13627 1/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL26502075 0.86 CSNK1D (0.64) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL18237232 0.82 CSNK1D (0.62) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6165194 0.82 CSNK1D (0.62) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9724913 0.82 CSNK1D (0.62) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Benzene SCHEMBL7282433 0.81 CSNK1D (0.64) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4945628 0.76 CSNK1D (0.60) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL386632 0.76 MME (0.51) MEN1KMT2AMAPK1MAPTMME
SCHEMBL7378782 0.76 MME (0.50) MEN1KMT2AMAPK1MAPTMME
SCHEMBL9724834 0.75 PKM (0.61) SMN1; SMN2ACP1MEN1NPC1RAB9A
SCHEMBL13949524 0.75 CSNK1D (1.00) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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