SCHEMBL18993451

SCHEMBL18993451

O=C(Nc1ccc(S)cc1)c1cc[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TOP1 P11387 2/20 0.42
PTPN1 P18031 2/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
NQO2 P16083 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 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
SCHEMBL8772217 0.82 POLB (0.54) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6037515 0.82 NPC1 (0.43) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6037520 0.82 RAB9A (0.67) NPC1RAB9AMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL31228747 0.81 PTPN1 (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6954756 0.81 PTPN1 (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL8826894 0.81 NPC1 (0.63) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL8537614 0.81 NPC1 (0.63) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL28476840 0.79 TOP1 (0.55) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL16416801 0.79 KDM4E (0.67) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL16692745 0.78 TRPV4 (0.43) NPC1RAB9AMEN1POLBKMT2A

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