SCHEMBL8080428

SCHEMBL8080428

O=C1NCc2c1cc1ccc3c(c1c2-c1ccc(C(F)(F)F)cc1)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
KDR P35968 3/20 0.39
PARP1 P09874 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP2K4 P45985 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GRM2 Q14416 1/20 0.33
TDP2 O95551 1/20 0.33
CDK2 P24941 2/20 0.32
NFE2L2 Q16236 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL8081605 0.90 PARP1 (0.48) ALOX5PARP1MEN1ALDH1A1KMT2A
SCHEMBL8084927 0.88 ALOX5 (0.56) ALOX5MEN1KMT2AGRM2CDK2
SCHEMBL8072655 0.87 ALOX5 (0.54) ALOX5CDK2MAPT
SCHEMBL8072504 0.86 ALOX5 (0.56) ALOX5MEN1ALDH1A1KMT2ACDK2
SCHEMBL8080562 0.86 ALOX5 (0.56) ALOX5GRM2CDK2DYRK1ACLK4
Hydrochloric Acid SCHEMBL8072479 0.86 ALOX5 (0.53) ALOX5CDK2MAPT
SCHEMBL8084967 0.86 ALOX5 (0.56) ALOX5KDRMEN1ALDH1A1KMT2A
SCHEMBL2952410 0.86 ALOX5 (0.71) ALOX5MEN1ALDH1A1KMT2AMAPT
SCHEMBL8081502 0.86 ALOX5 (0.55) ALOX5MEN1KMT2AGRM2CDK2
SCHEMBL8072251 0.83 ALOX5 (0.53) ALOX5KDRPARP1ALDH1A1TDP2

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-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 claimed
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