SCHEMBL8184641

SCHEMBL8184641

CSc1cc(N)nc(SCc2nccc(C)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DCK P27707 2/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6639426 0.84 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8180602 0.77 RAB9A (0.43) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8125293 0.77 RAB9A (0.42) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8140494 0.76 RAB9A (0.77) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8133558 0.76 RAB9A (0.47) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL8132161 0.76 RAB9A (0.41) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8134849 0.75 CYP1A2 (0.55) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL8138707 0.74 RAB9A (0.73) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8126631 0.74 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8141599 0.74 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124306-A Thioalkyl alpha substituted pyrimidine compounds PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US disclosed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO disclosed