SCHEMBL9856191

SCHEMBL9856191

CCC(C)Sc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CASP3 P42574 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
GAA P10253 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL9856411 0.83 HPGD (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10421957 0.79 RAB9A (1.00) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL7919296 0.77 RAB9A (0.76) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL9113979 0.76 RAB9A (0.69) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL10508468 0.74 RAB9A (0.76) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL8618065 0.74 NPC1 (0.76) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL16444039 0.73 RAB9A (0.69) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL10458108 0.70 CYP1A2 (1.00) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL9856352 0.70 MAOA (0.42) LMNATSHRHPGD
SCHEMBL9856284 0.70 CA2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed