SCHEMBL9345555

SCHEMBL9345555

C=CCO/N=C(\C(=O)OCC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
GAA P10253 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL10420072 1.00 MAPT (0.50) MAPTKMT2AMEN1GAATDP1
SCHEMBL9345560 1.00 MAPT (0.50) MAPTKMT2AMEN1GAATDP1
SCHEMBL9345522 0.92 KMT2A (0.55) MAPTKMT2AMEN1GAATDP1
SCHEMBL9345517 0.92 KMT2A (0.55) MAPTKMT2AMEN1GAATDP1
SCHEMBL10545579 0.92 MAPT (0.39) MAPTKMT2AMEN1GAATDP1
SCHEMBL10545577 0.92 MAPT (0.39) MAPTKMT2AMEN1GAATDP1
SCHEMBL11479587 0.89 MAPT (0.52) MAPTKMT2AMEN1GAATDP1
SCHEMBL11479594 0.89 MAPT (0.52) MAPTKMT2AMEN1GAATDP1
SCHEMBL9021277 0.88 MAPT (0.41) MAPTKMT2AMEN1GAATDP1
SCHEMBL9021283 0.88 MAPT (0.41) MAPTKMT2AMEN1GAATDP1

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