SCHEMBL18993441

SCHEMBL18993441

O=C(Nc1ccc(S)cc1)c1cocn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.51
BACE1 P56817 3/20 0.42
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
NTRK1 P04629 1/20 0.36
LMNA P02545 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
P4HTM Q9NXG6 1/20 0.36

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
SCHEMBL18027796 0.84 RAB9A (0.56) F2RNPC1RAB9AKDM4EALDH1A1
SCHEMBL893100 0.83 F2R (0.64) F2RNPC1RAB9AKDM4EALDH1A1
SCHEMBL16692739 0.80 F2R (0.48) F2RBACE1NPC1RAB9AKDM4E
SCHEMBL18207855 0.77 GRM5 (0.52) F2RBACE1NPC1RAB9AKDM4E
SCHEMBL7783276 0.76 MAOB (0.51) F2RBACE1NPC1RAB9AKDM4E
SCHEMBL4781928 0.75 SMN1; SMN2 (0.59) F2RBACE1NPC1RAB9AKDM4E
SCHEMBL15707278 0.75 CA1 (0.52) F2RBACE1
SCHEMBL18207867 0.74 KMT2A (0.57) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL15886276 0.74 BACE1 (0.54) F2RBACE1NPC1RAB9AALDH1A1
SCHEMBL25683741 0.74 ALDH1A1 (0.55) F2RBACE1NPC1RAB9AKDM4E

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
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed