SCHEMBL27498271

SCHEMBL27498271

CCc1noc(-c2ccccc2)c1-c1ccc(C)cc1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTPN1 P18031 1/20 0.35
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
DUSP3 P51452 1/20 0.34
SMN1; SMN2 Q16637 4/20 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
SCHEMBL6169007 0.77 PTGS1 (0.50) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL27517533 0.76 BRD4 (0.49) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL6167859 0.73 NPC1 (0.38) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8800658 0.73 HEXA (0.42) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4028141 0.71 PTGS1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL10629178 0.70 ESR2 (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL6169852 0.70 MAPK10 (0.46) NPC1MEN1KMT2AHPGDNPSR1
Sulfamide SCHEMBL4639248 0.70 PTPN1 (0.46) MEN1KMT2AHPGDNPSR1PTGS1
SCHEMBL8479645 0.69 PTGS2 (0.41) MEN1KMT2AHPGDNPSR1PTGS1
SCHEMBL8478775 0.69 CHEK1 (0.39) NPC1RAB9AMEN1KMT2ATP53

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
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 CN disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed