SCHEMBL9715442

SCHEMBL9715442

O=C(O)c1csc(NCCN2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.50
EGFR P00533 2/20 0.50
PLAU P00749 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PIK3CG P48736 1/20 0.42
NPC1 O15118 1/20 0.42
TERT O14746 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
ACP1 P24666 1/20 0.39
YES1 P07947 1/20 0.39

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
SCHEMBL10473121 0.83 SMN1; SMN2 (0.57) DHFREGFRPLAUKDM4EHSD17B10
Oxalic Acid SCHEMBL9536039 0.82 KDM4E (0.66) DHFREGFRPLAUKDM4EUSP2
SCHEMBL9536249 0.77 KDM4E (0.53) DHFREGFRPLAUKDM4EUSP2
SCHEMBL9537766 0.75 NPC1 (0.61) PLAUKDM4EALOX15HSD17B10NPC1
SCHEMBL12894447 0.74 PLAU (0.46) DHFREGFRPLAUKDM4EUSP2
SCHEMBL2215321 0.73 HRH3 (0.61) DHFREGFRL3MBTL1KDM4EUSP2
SCHEMBL725129 0.71 PLA2G4A (0.57) L3MBTL1NPC1POLB
SCHEMBL10278061 0.71 L3MBTL1 (0.54) L3MBTL1KDM4EPIK3CGNPC1POLB
SCHEMBL25083597 0.71 L3MBTL1 (0.62) L3MBTL1KDM4EALOX15HSD17B10NPC1
SCHEMBL28305604 0.71 L3MBTL1 (0.47) DHFREGFRL3MBTL1KDM4EUSP2

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
EP-0343893-B1 AROMATIC AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS ANTINEOPLASTIC AGENTS PFIZER INC. (US) 1992-08-05 EP disclosed