SCHEMBL7067575

SCHEMBL7067575

CCCCCCCOc1cnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
RARB P10826 4/20 0.42
PTPRZ1 P23471 1/20 0.42
TSHR P16473 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TRPV3 Q8NET8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7061028 1.00 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7105435 0.85 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7104301 0.85 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7066572 0.84 RARB (0.59) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7063005 0.84 RARB (0.59) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7067329 0.84 RARB (0.59) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL17795365 0.82 PTPRZ1 (0.59) RAB9ANPC1PTPRZ1TSHRCA12
SCHEMBL5866522 0.79 NPC1 (0.71) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL9318472 0.79 NPC1 (0.71) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL9235626 0.79 NPC1 (0.71) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042302-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-09-24 EP disclosed
EP-0973844-B1 COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING & MFG (US) 2003-06-04 EP disclosed
US-6309561-B1 Liquid crystal compounds having a chiral fluorinated terminal portion 3M INNOVATIVE PROPERTIES COMPANY 2001-10-30 US disclosed
EP-1042302-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-11 EP disclosed
EP-0973844-A1 COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-26 EP disclosed
WO-1999033814-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-08 WO disclosed
US-5855812-A ALIPHATIC FLUOROCARBON TERMINAL PORTION COMPRISING A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP AND AN ALKYLENE GROUP HAVING AT LEAST TWO CARBON ATOMS AND CONTAINING AT LEAST ONE CATENARY ETHER OXYGEN ATOM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-05 US disclosed
WO-1998046697-A1 COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-22 WO disclosed