SCHEMBL10692046

SCHEMBL10692046

COC(=O)c1cccc(CSc2nc(C)c(CC(=O)O)s2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
GSK3B P49841 2/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL10692209 0.87 NPC1 (0.60) NPC1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL10691153 0.83 LMNA (0.48) NPC1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL10691483 0.78 FFAR1 (0.58) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10691802 0.78 PTGDR2 (0.49) NPC1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL10690460 0.77 LMNA (0.54) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9748038 0.76 NPC1 (0.65) NPC1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL1492405 0.73 LOXL2 (0.68) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10689661 0.71 ALDH1A1 (0.60) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL25464938 0.70 LOXL2 (0.68) NPC1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL30417629 0.70 LOXL2 (0.68) NPC1MEN1KMT2APTGDR2SMN1; SMN2

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-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed