SCHEMBL8085136

SCHEMBL8085136

O=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc(F)cc1)OCC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
TDP2 O95551 2/20 0.34
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
PARP1 P09874 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
PRKD3 O94806 1/20 0.32
EGFR P00533 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
SRC P12931 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL8081965 0.84 ALOX5 (0.43)
SCHEMBL8086711 0.82 GRM2 (0.44) RAB9AMAPTNPC1CDK2KDR
SCHEMBL8084885 0.81 PTGS2 (0.44) CHEK1WEE1RAB9ANPC1CDK2
SCHEMBL8148248 0.69 ALOX5 (0.52) CHEK1WEE1MEN1KMT2A
SCHEMBL8085040 0.69 CDK2 (0.39) CHEK1WEE1RAB9AMAPTNPC1
SCHEMBL8082093 0.69 CDK2 (0.39) TDP2MAPTCDK2NPSR1
SCHEMBL8085105 0.69 TDP2 (0.39) TDP2CDK2MEN1KMT2AALDH1A1
SCHEMBL2959109 0.68 ALOX5 (0.48) CDK2MEN1KMT2A
SCHEMBL8080617 0.67 ALOX5 (0.63) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL8080517 0.67 APP (0.41) CHEK1WEE1RAB9AMAPTNPC1

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
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed