SCHEMBL10690460

SCHEMBL10690460

Cc1nc(SCc2ccc(C(=O)O)cc2)sc1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
FFAR1 O14842 1/20 0.52
KDM4E B2RXH2 3/20 0.46
GFER P55789 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 5/20 0.45
VCP P55072 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GSK3B P49841 1/20 0.43
POLB P06746 1/20 0.42

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 0.88 LMNA (0.48) LMNAHPGDFFAR1KDM4EGFER
SCHEMBL10692209 0.88 NPC1 (0.60) LMNAHPGDFFAR1KMT2AMEN1
SCHEMBL8547416 0.81 MAPT (0.41) LMNAHPGDKMT2AMEN1NPC1
SCHEMBL10689661 0.78 ALDH1A1 (0.60) LMNAHPGDFFAR1KDM4EKMT2A
SCHEMBL10692046 0.77 NPC1 (0.63) LMNAFFAR1KMT2AMEN1NPC1
SCHEMBL10691191 0.76 ALDH1A1 (0.40) LMNAKDM4EKMT2AMEN1NPC1
SCHEMBL9749252 0.76 GAA (0.51) LMNAHPGDKDM4EKMT2AMEN1
SCHEMBL10691483 0.76 FFAR1 (0.58) LMNAHPGDFFAR1KMT2AMEN1
SCHEMBL8546674 0.76 SMN1; SMN2 (0.42) LMNAHPGDKDM4EGFERKMT2A
SCHEMBL8551360 0.75 ALDH1A1 (0.46) HPGDKDM4EALDH1A1MAPTPOLB

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