SCHEMBL18230271

SCHEMBL18230271

N#Cc1sc(NC(=O)c2ccc(OC(F)(F)F)cc2F)nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RUNX1 Q01196 1/20 0.37

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
SCHEMBL18230494 0.89 NPC1 (0.49) TRPV4RAB9AMAPTL3MBTL1LMNA
SCHEMBL18230507 0.87 PCSK9 (0.48) TRPV4ADORA2AADORA1ADORA3RAB9A
SCHEMBL18230409 0.87 ADORA2A (0.50) TRPV4ADORA2AADORA1ADORA3MAPT
SCHEMBL18230364 0.84 ADORA2A (0.42) TRPV4ADORA2AADORA1ADORA3RAB9A
SCHEMBL18230353 0.81 PTGES (0.49) TRPV4ADORA2AADORA1ADORA3RAB9A
SCHEMBL18230342 0.80 ADORA2A (0.44) TRPV4ADORA2AADORA1ADORA3MAPT
SCHEMBL18230317 0.79 ADORA2A (0.48) TRPV4ADORA2AADORA1ADORA3MAPT
SCHEMBL18094514 0.79 THRB (0.45) NOX1ADORA3MAPTTLR7THRB
SCHEMBL18230432 0.78 ADORA3 (0.46) TRPV4ADORA2AADORA1ADORA3MAPT
SCHEMBL18230284 0.77 ADORA2A (0.39) TRPV4ADORA2AADORA1ADORA3RAB9A

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-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
Send feedback