SCHEMBL3371377

SCHEMBL3371377

Cc1ccc(Nc2ccccc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46

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
SCHEMBL1713014 0.84 MAPT (0.72) MAPTGAATDP1NPC1RAB9A
SCHEMBL22923289 0.83 MAPK10 (0.47) MAPTGAATDP1NPC1RAB9A
SCHEMBL11178333 0.83 SMN1; SMN2 (0.56) MAPTGAATDP1NPC1RAB9A
SCHEMBL1704615 0.82 MAPT (0.56) MAPTGAATDP1NPC1RAB9A
SCHEMBL30785818 0.82 MAPT (0.56) MAPTGAATDP1NPC1RAB9A
SCHEMBL19302971 0.79 MAPT (0.64) MAPTGAATDP1NPC1RAB9A
SCHEMBL15145311 0.79 MEN1 (0.51) MAPTGAATDP1NPC1RAB9A
SCHEMBL16469766 0.79 DGAT1 (0.50) MAPTGAATDP1NPC1RAB9A
SCHEMBL12470477 0.79 L3MBTL1 (0.46) MAPTGAATDP1NPC1RAB9A
SCHEMBL6360440 0.79 KMT2A (0.48) MAPTGAANPC1RAB9AHPGD

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-1313825-B2 USE OF GASOLINE COMPOSITION SHELL INT RESEARCH (NL) 2010-03-10 EP disclosed
CN-1210383-C Gasoline composition SHELL INT RESEARCH (NL) 2005-07-13 CN disclosed
EP-1313825-B1 GASOLINE COMPOSITION SHELL INT RESEARCH (NL) 2004-12-29 EP disclosed
CN-1449433-A Gasoline composition SHELL INT RESEARCH (NL) 2003-10-15 CN disclosed
EP-1313825-A2 GASOLINE COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-05-28 EP disclosed
US-6565617-B2 For operating automobile powered by a spark- ignition engine equipped with a knock sensor SHELL OIL COMPANY 2003-05-20 US disclosed
US-20020166283-A1 Gasoline composition SHELL OIL COMPANY 2002-11-14 US disclosed
WO-2002016531-A2 GASOLINE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-02-28 WO disclosed