SCHEMBL9775157

SCHEMBL9775157

O=C(CCNc1ccccc1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.57
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
CTNNB1 P35222 5/20 0.50
WNT3A P56704 5/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KAT6A Q92794 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL30089515 0.81 CTNNB1 (0.68) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL14732971 0.79 CTNNB1 (0.61) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL7244500 0.78 CTNNB1 (0.60) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL3070244 0.78 CA12 (0.69) MEN1KMT2ATDP1CES1CA12
SCHEMBL30758347 0.78 CTNNB1 (0.60) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL20508992 0.77 PTPN1 (0.74) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL6383722 0.77 PTPN1 (0.58) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL8987291 0.76 PTPN1 (0.62) PTPN1ERCC5FEN1MEN1KMT2A
SCHEMBL9775167 0.76 CA12 (0.57) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL5691811 0.76 PTPN1 (0.72) PTPN1ERCC5FEN1CTNNB1WNT3A

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
US-5075339-A Antiinflammatory agents, antiallergens DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-24 US disclosed
US-4948813-A Benzylketone phospholipase A2 inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed