SCHEMBL27757262

SCHEMBL27757262

COC(C)(C)n1cc(-c2ccc(C)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ FLT3 P36888 1/20 0.44
▸ SRC P12931 5/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ PTGS2 P35354 3/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ KDR P35968 3/20 0.42
▸ TEK Q02763 3/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ EPHB4 P54760 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25494292 0.86 FLT3 (0.46) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL20995390 0.81 FLT3 (0.45) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL20995384 0.78 NPC1 (0.44) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL20812238 0.78 HSP90AA1 (0.55) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL20995347 0.76 FLT3 (0.41) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL20995348 0.73 HSP90AA1 (0.54) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL9143504 0.72 KDR (0.50) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL5705129 0.72 NPC1 (0.51) NPC1RAB9AKMT2AMEN1FLT3
SCHEMBL20812240 0.71 PTGS2 (0.47) NPC1RAB9AFLT3HSP90AA1HSP90AB1
SCHEMBL20995373 0.71 HSP90AA1 (0.52) NPC1RAB9AKMT2AMEN1HSP90AA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101600784-A Polymetallic corrosion inhibitors CIBA HOLDING INC (CH) 2009-12-09 — — CN claimed
CN-101541928-A Stabilised biodiesel fuel compositions CIBA HOLDING INC (CH) 2009-09-23 — — CN claimed
CN-103282473-A Microbial oils having reduced pour points, dielectric fluids produced therefrom, and related methods SOLAZYME INC 2013-09-04 — — CN disclosed
CN-103119093-A A thermally-stable dielectric fluid DOW GLOBAL TECHNOLOGIES LLC 2013-05-22 — — CN disclosed
CN-102782051-A Algae oil based dielectric fluid for electrical components DOW GLOBAL TECHNOLOGIES LLC 2012-11-14 — — CN disclosed
CN-101600784-A Polymetallic corrosion inhibitors CIBA HOLDING INC (CH) 2009-12-09 — — CN disclosed
CN-101541928-A Stabilised biodiesel fuel compositions CIBA HOLDING INC (CH) 2009-09-23 — — CN disclosed
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