SCHEMBL20365331

SCHEMBL20365331

COc1c(CN=O)cc(OC(F)(F)F)cc1NC(=O)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.50
▸ EPHX1 P07099 3/20 0.50
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL18615479 0.89 EPHX2 (0.53) EPHX2EPHX1KMT2AMEN1KDM4E
SCHEMBL18615480 0.76 MEN1 (0.66) EPHX2EPHX1KMT2AMEN1KDM4E
SCHEMBL18615487 0.74 MAPK14 (0.49) EPHX2EPHX1KMT2AMEN1KDM4E
SCHEMBL20357277 0.71 EPHX2 (0.45) EPHX2
SCHEMBL18615501 0.71 EPHX2 (0.45) EPHX2
SCHEMBL20976434 0.70 KMT2A (0.47) EPHX2EPHX1KMT2AMEN1KDM4E
SCHEMBL18615444 0.70 KMT2A (0.47) EPHX2EPHX1KMT2AMEN1KDM4E
SCHEMBL21525417 0.70 EPHX2 (0.54) EPHX2EPHX1KMT2AMEN1NPC1
SCHEMBL20357379 0.69 EPHX2 (0.42) EPHX2KMT2AKDM4EALDH1A1
SCHEMBL18615650 0.69 EPHX2 (0.42) EPHX2KMT2AKDM4EALDH1A1

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
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
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