SCHEMBL5818702

SCHEMBL5818702

O=[C]CSc1nnc2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 7/20 0.55
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL11188407 0.84 RAB9A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL1520044 0.76 RAB9A (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL10571493 0.75 RAB9A (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL10575793 0.75 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL11115568 0.72 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL903215 0.72 LMNA (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL10016350 0.71 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL10573853 0.71 KDM4E (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL8915226 0.71 HSD17B10 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4870340 0.69 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed