SCHEMBL28367987

SCHEMBL28367987

N#CCC(c1ccc(OC(N)=O)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.53
▸ PRSS1 P07477 2/20 0.35
▸ ACR P10323 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MLYCD O95822 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL28367562 0.79 KIF11 (0.55) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28364169 0.79 KIF11 (0.55) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28364165 0.79 KIF11 (0.55) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28367788 0.77 KIF11 (0.57) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL20588183 0.74 KIF11 (0.41) KIF11MEN1KMT2AMAOBALDH1A1
SCHEMBL28459342 0.74 KIF11 (0.66) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL4316832 0.73 KIF11 (0.89) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28365026 0.73 KIF11 (0.64) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28364204 0.72 KIF11 (0.48) KIF11PRSS1ACRMEN1KMT2A
SCHEMBL28909073 0.72 KIF11 (0.86) KIF11PRSS1ACRMEN1KMT2A

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
CN-110730780-A 2, 3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators 阿斯利康(瑞典)有限公司 2020-01-24 — — CN disclosed
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