SCHEMBL9345522

SCHEMBL9345522

CCON=C(C(=O)OCC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
MAPT P10636 7/20 0.55
GAA P10253 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL9345517 1.00 KMT2A (0.55) KMT2AMEN1MAPTGAATDP1
SCHEMBL11132942 0.93 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL11139117 0.93 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL9345560 0.92 MAPT (0.50) KMT2AMEN1MAPTGAATDP1
SCHEMBL10420072 0.92 MAPT (0.50) KMT2AMEN1MAPTGAATDP1
SCHEMBL9345555 0.92 MAPT (0.50) KMT2AMEN1MAPTGAATDP1
SCHEMBL8628282 0.92 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL9871195 0.92 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL11087499 0.92 KMT2A (0.54) KMT2AMEN1MAPTGAATDP1
SCHEMBL9871186 0.92 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1

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-5336776-A Cephalopsporin intermediates; Staphyloccus septicemia and skin disorders; penicillin-resistant gramnegative bacteria ROUSSEL UCLAF (FR) 1994-08-09 US disclosed
US-5103012-A Chemical intermediate ROUSSEL UCLAF (FR) 1992-04-07 US disclosed
US-4988816-A Chemical intermediates for cephalosporin antibiotics ROUSSEL UCLAF (FR) 1991-01-29 US disclosed
US-4843164-A CEPHALOSPORIN INTERMEDIATE; ANTIBIOTIC ROUSSEL UCLAF (FR) 1989-06-27 US disclosed
US-4376203-A ANTIBIOTIC ROUSSELL UCLAF (FR) 1983-03-08 US disclosed
US-4283396-A 3-Acetoxymethyl-7-(hydroxyiminoacetamido)-cephalosporanic acid derivatives ROUSSEL UCLAF (FR) 1981-08-11 US disclosed
US-4196205-A ANTIBIOTICS, BACTERICIDES ROUSSEL UCLAF (FR) 1980-04-01 US disclosed
US-4152432-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1979-05-01 US disclosed