SCHEMBL9599405

SCHEMBL9599405

COCCOc1nc(C)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.36
PIK3CA P42336 4/20 0.36
MTOR P42345 3/20 0.36
TLR7 Q9NYK1 8/20 0.35
HSP90AB1 P08238 1/20 0.35
TLR8 Q9NR97 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
NUDT1 P36639 1/20 0.34
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
SCHEMBL10865363 0.82 HSP90AA1 (0.41) NPC1RAB9AHSP90AA1TLR7HSP90AB1
SCHEMBL1131137 0.78 HSP90AA1 (0.44) TSHRNPC1RAB9AHSP90AA1PIK3CA
SCHEMBL12393233 0.77 TSHR (0.35) TSHRTLR7NUDT1
SCHEMBL29340871 0.77 CDK1 (0.46) TSHRTLR8
SCHEMBL25659408 0.76 TSHR (0.41) TSHRTLR7TLR8NUDT1
SCHEMBL30562916 0.74 HSP90AB1 (0.43) TSHRNPC1RAB9AHSP90AA1PIK3CA
SCHEMBL441545 0.74 HSP90AB1 (0.43) TSHRNPC1RAB9AHSP90AA1PIK3CA
Fluoride SCHEMBL31379739 0.73 HSP90AB1 (0.41) TSHRNPC1RAB9AHSP90AA1PIK3CA
SCHEMBL24728017 0.72 MAPT (0.41) NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL21364208 0.72 TLR7 (0.40) TSHRTLR7NUDT1LMNA

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-1993010086-A1 PROCESS FOR PREPARING N-(ARYLSULPHONYL)-CARBAMIDE ACID DERIVATES AND INTERMEDIATES USEFUL FOR CARRYING OUT THIS PROCESS MTA Központi Kémiai Kutató Intézete (HU) 1993-05-27 WO disclosed