SCHEMBL9566650

SCHEMBL9566650

Nc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.83
NPC1 O15118 2/20 0.83
ALDH1A1 P00352 2/20 0.83
TSHR P16473 2/20 0.83
RAB9A P51151 2/20 0.83
HSD17B10 Q99714 2/20 0.83
CASP7 P55210 1/20 0.83
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MAPK1 P28482 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ANPEP P15144 2/20 0.57
DPP4 P27487 1/20 0.57
ESR1 P03372 4/20 0.56
ESR2 Q92731 2/20 0.56
CA1 P00915 6/20 0.49
CA9 Q16790 6/20 0.49
CA12 O43570 5/20 0.49
CA2 P00918 5/20 0.49
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8995319 0.98 CASP1 (0.86) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL4781427 0.91 ALDH1A1 (1.00) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL23752504 0.90 TSHR (0.69) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL9566662 0.89 CASP1 (0.73) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL6578947 0.89 ALDH1A1 (0.73) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL15431051 0.89 NPC1 (0.67) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL4782142 0.89 ALDH1A1 (0.72) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL9573079 0.88 ALDH1A1 (0.71) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL9468586 0.88 ALDH1A1 (0.71) CASP1NPC1ALDH1A1TSHRRAB9A
SCHEMBL9468751 0.88 CASP1 (0.71) CASP1NPC1ALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP claimed
EP-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP disclosed