SCHEMBL10692209

SCHEMBL10692209

COC(=O)c1ccc(CSc2nc(C)c(CC(=O)O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
POLB P06746 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPK1 P28482 2/20 0.45

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
SCHEMBL10690460 0.88 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10692046 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10691153 0.84 LMNA (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10691483 0.80 FFAR1 (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10691802 0.80 PTGDR2 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8547416 0.77 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11188532 0.75 MAPT (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9748135 0.75 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14439016 0.74 CYP1A2 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10872912 0.73 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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