SCHEMBL15060598

SCHEMBL15060598

CCc1ccc(-c2ccccc2OCC(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ RORC P51449 1/20 0.42
▸ UGCG Q16739 4/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ USP1 O94782 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL266175 0.86 RORC (0.54) ALOX5APFEN1CYP11B1CYP11B2RORC
SCHEMBL13017143 0.85 ALOX5AP (0.45) ALOX5APFEN1CYP11B1CYP11B2RORC
SCHEMBL15060597 0.81 SCN9A (0.49) ALOX5APFEN1UGCGSCN9A
SCHEMBL15060623 0.81 CYP3A4 (0.44) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL15060601 0.75 CYP11B1 (0.59) ALOX5APFEN1CYP11B1CYP11B2NPC1
SCHEMBL12206594 0.74 KDM1A (0.56) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12524836 0.73 L3MBTL1 (0.53) SCN9ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16801759 0.73 NPC1 (0.44) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL14200502 0.72 GAA (0.43) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL13771808 0.72 CYP11B1 (0.57) ALOX5APFEN1CYP11B1CYP11B2NPC1

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
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
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