SCHEMBL10691483

SCHEMBL10691483

COC(=O)Cc1sc(SCc2ccccc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 3/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
LMNA P02545 4/20 0.44
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 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
SCHEMBL10691153 0.87 LMNA (0.48) FFAR1MAPK1MAPTALDH1A1KMT2A
SCHEMBL10692209 0.80 NPC1 (0.60) FFAR1MAPK1MAPTALDH1A1KMT2A
SCHEMBL10692046 0.78 NPC1 (0.63) FFAR1MAPK1MAPTALDH1A1KMT2A
SCHEMBL10691175 0.78 TSHR (0.41) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL10685537 0.77 TSHR (0.39) MAPK1MAPTALDH1A1TDP1HPGD
SCHEMBL10689934 0.77 LMNA (0.40) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL8550459 0.76 ALDH1A1 (0.34) FFAR1MAPK1MAPTALDH1A1KMT2A
SCHEMBL10690460 0.76 LMNA (0.54) FFAR1MAPTALDH1A1KMT2AMEN1
SCHEMBL27174924 0.76 FFAR1 (0.60) FFAR1MAPK1MAPTALDH1A1KMT2A
SCHEMBL14582769 0.76 MAPK1 (0.56) FFAR1MAPK1MAPTALDH1A1KMT2A

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