SCHEMBL11079964

SCHEMBL11079964

[NH]C(=O)Cc1ccsc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL9710840 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11079970 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11808734 0.78 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11086693 0.78 TP53 (0.34) KMT2AMAPK1TP53ALOX15CES2
SCHEMBL11182305 0.76 GSK3B (0.35) KMT2AMEN1MAPK1MAPTRAB9A
SCHEMBL10964733 0.74 PTPRC (0.44) KMT2AMAPK1LMNATP53ALOX15
SCHEMBL9082052 0.74 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11655340 0.72 MEN1 (0.35) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11209999 0.72 TP53 (0.31) KMT2AMAPK1TP53ALOX15
SCHEMBL2710074 0.72

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
EP-0034443-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-09-26 EP disclosed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US disclosed
US-4387051-A β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1983-06-07 US disclosed
EP-0073100-A1 Beta-lactam compounds, their preparation and their use BEECHAM GROUP PLC (GB) 1983-03-02 EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed