SCHEMBL9756551

SCHEMBL9756551

CSC(C(=O)S)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.44
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
CTSD P07339 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL21687919 0.83 SRC (0.50) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL21687922 0.83 SRC (0.50) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL4740644 0.83 SRC (0.50) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL1569023 0.79 NPC1 (0.51) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL8804842 0.78 L3MBTL1 (0.55) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL13789642 0.76 HDAC1 (0.57) NPC1RAB9AL3MBTL1LMNAPKM
SCHEMBL1578734 0.76 KMT2A (0.60) NPC1RAB9AL3MBTL1LMNAPKM
SCHEMBL8800354 0.75 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL1579063 0.75 CTSD (0.63) NPC1RAB9AL3MBTL1LMNACYP2D6
SCHEMBL9755853 0.74 NPC1 (0.42) NPC1RAB9AL3MBTL1LMNACYP2D6

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-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed