SCHEMBL8663563

SCHEMBL8663563

O=C1CN(CSCc2cccs2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL8443681 0.81 MEN1 (0.59) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL4332381 0.77 EPHX2 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8658916 0.75 DAO (0.40) ALDH1A1SMN1; SMN2HSD17B10HTTCYP2C19
SCHEMBL5144954 0.71 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL8665315 0.71 MAPT (0.37) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL8667805 0.70 CYP1A2 (0.53) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL8658341 0.70 DAO (0.44) ALDH1A1HPGDHSD17B10MAPTKMT2A
SCHEMBL8661737 0.67 EPHX2 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2585841 0.67 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13315850 0.66 HPGD (0.60) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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-5767140-A USEFUL FOR TREATING AIDS SOUTHERN RESEARCH INSTITUTE (US) 1998-06-16 US disclosed