SCHEMBL28367562

SCHEMBL28367562

NCCC(c1ccc(OC(N)=O)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ ACR P10323 2/20 0.37
▸ MAOB P27338 3/20 0.35
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL28364165 0.91 KIF11 (0.55) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL28364169 0.88 KIF11 (0.55) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL28364204 0.80 KIF11 (0.48) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL28367987 0.79 KIF11 (0.53) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL28459342 0.76 KIF11 (0.66) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL4316832 0.76 KIF11 (0.89) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL28884387 0.76 KIF11 (0.46) KIF11ALDH1A1LMNAHTT
SCHEMBL28365026 0.75 KIF11 (0.64) KIF11KMT2AMEN1PRSS1ACR
SCHEMBL28909073 0.74 KIF11 (0.86) KIF11ALDH1A1KMT2AMEN1PRSS1
SCHEMBL20589330 0.73 EPHX2 (0.43) KIF11ALDH1A1KMT2AMEN1HTT

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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