SCHEMBL9565856

SCHEMBL9565856

COC(=O)c1cccnc1SC(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAP2K1 Q02750 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 4/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL18795683 0.81 L3MBTL1 (0.64) L3MBTL1PKMKMT2AMEN1TDP1
SCHEMBL3717527 0.80 KMT2A (0.72) L3MBTL1PKMKMT2AMEN1TDP1
SCHEMBL28987574 0.75 HSD17B10 (0.54) L3MBTL1KMT2ATDP1TSHRRAB9A
SCHEMBL9661173 0.75 PKM (0.68) L3MBTL1PKMKMT2AMEN1TDP1
SCHEMBL2467263 0.73 TDP1 (0.55) L3MBTL1PKMKMT2AMEN1TDP1
SCHEMBL29412876 0.73 NAPRT (0.61) L3MBTL1PKMTDP1TSHRMAP2K1
SCHEMBL1807364 0.73 NAPRT (0.61) L3MBTL1PKMKMT2AMEN1TDP1
SCHEMBL167456 0.73 NAPRT (0.61) L3MBTL1PKMTDP1TSHRMAP2K1
SCHEMBL9565846 0.72 TUBB4A (0.52) RAB9ASMN1; SMN2NPC1KDM4ECASP3
SCHEMBL812065 0.72 KDM4E (0.59) L3MBTL1PKMKMT2AMEN1TDP1

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
EP-0526732-A2 Processes for the preparation of heterocyclic thiocarbamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-10 EP disclosed