SCHEMBL18499136

SCHEMBL18499136

Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ KIF11 P52732 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHUK O15111 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ HRH4 Q9H3N8 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
SCHEMBL13729610 0.78 KIF11 (0.52) LMNATHRBKIF11ADORA3CHUK
SCHEMBL10367290 0.76 ALOX5 (0.44) LMNAADORA3MAPTKDM4EMEN1
SCHEMBL5249070 0.73 TRPV3 (0.43) LMNATHRBKIF11ADORA3CHUK
SCHEMBL30862210 0.73 KIF11 (0.58) LMNATHRBKIF11ADORA3CHUK
SCHEMBL28827814 0.72 LMNA (0.56) LMNATHRBKIF11ADORA3KDM4E
SCHEMBL22497605 0.72 KIF11 (0.48) LMNATHRBKIF11ADORA3CHUK
SCHEMBL29414652 0.72 KIF11 (0.48) LMNATHRBKIF11ADORA3CHUK
SCHEMBL17269505 0.71 KIF11 (0.62) LMNATHRBKIF11ADORA3CHUK
SCHEMBL8031410 0.71 LMNA (0.62) KCNH2LMNATHRBKIF11ADORA3
SCHEMBL9013368 0.71 ADORA3 (0.47) LMNATHRBKIF11ADORA3CHUK

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-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 — — US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 — — US disclosed
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