SCHEMBL21086295

SCHEMBL21086295

C=C(F)/C=C\c1[nH]c2c(C)c3[nH]c4ccc(F)cc4c3cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CHUK O15111 1/20 0.35
ACHE P22303 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 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
SCHEMBL1920809 0.79 KIF11 (0.56) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL17613793 0.67 ACHE (0.47) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL21086234 0.65 KIF11 (0.46) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL8365326 0.64 KEAP1 (0.47) KIF11KEAP1NFE2L2CDK2MAPT
SCHEMBL1921035 0.64 KIF11 (0.45) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL27118739 0.63 CHUK (0.58) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL29445080 0.63 CHUK (0.58) KIF11KEAP1NFE2L2CDK5CDK5R1
SCHEMBL1337539 0.63 KEAP1 (0.51) KIF11KEAP1NFE2L2CHUKACHE
SCHEMBL1920226 0.63 KIF11 (0.47) KIF11KEAP1NFE2L2CHUKACHE
SCHEMBL17613784 0.62 CDK5 (0.47) KIF11KEAP1NFE2L2CDK5CDK5R1

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-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP disclosed