SCHEMBL8945250

SCHEMBL8945250

CSc1nc2sccc2c2nnc(SCc3ccccc3)n12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
PKM P14618 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 4/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8945165 0.77 RAB9A (0.41) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL9536661 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9535707 0.69 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL9536889 0.68 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL9535561 0.68 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL9534491 0.68 LMNA (0.44) ALDH1A1MAPTPKMSMN1; SMN2L3MBTL1
SCHEMBL19079679 0.67 PDE4D (0.70) ALDH1A1MAPTPKMSMN1; SMN2L3MBTL1
SCHEMBL9537059 0.66 LMNA (0.47) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL8945647 0.66 ALDH1A1 (0.48) ALDH1A1MAPTPKMSMN1; SMN2L3MBTL1
SCHEMBL7495037 0.61 LMNA (0.48) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA

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-5494887-A Ring annulated 5-alkoxy-n-aryl[1,2,4]triazolo[1,5-C]-pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1996-02-27 US disclosed