SCHEMBL18615449

SCHEMBL18615449

COc1ccc(S(F)(F)(F)(F)F)cc1NC(=O)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL18615491 0.83 KMT2A (0.48) MEN1KMT2AKDM4EPOLBNPC1
SCHEMBL12218290 0.81 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20357274 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18615445 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2752803 0.81 KMT2A (0.73) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18615451 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18615480 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20357399 0.79 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18615497 0.79 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20365400 0.78 KMT2A (0.72) MEN1KMT2AALDH1A1MAPTKDM4E

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 3 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
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — WO disclosed
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