SCHEMBL7642011

SCHEMBL7642011

Cc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c2cc1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9359151 0.92 HTT (0.47) HTTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9358741 0.90 HSD17B10 (0.42) HTTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9363467 0.89 KDM4E (0.47) KDM4E
SCHEMBL9359237 0.86 NPC1 (0.40) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9359029 0.86 RECQL (0.45) HTTNPC1HSD17B10KDM4E
SCHEMBL9359150 0.86 PKM (0.46) NPC1HSD17B10KDM4E
SCHEMBL9358982 0.85 PKM (0.47) RAB9ASMN1; SMN2
SCHEMBL9359324 0.84 KDM4E (0.46) HTTKDM4E
SCHEMBL9363075 0.84 FPR2 (0.53) HTTNPC1SMN1; SMN2
SCHEMBL6638785 0.83 P2RY1 (0.46)

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-0421456-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-28 EP claimed
US-5223513-A Anticholesterol agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US claimed
EP-0421456-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed
EP-0421456-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-28 EP disclosed
US-5223513-A Anticholesterol agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed
EP-0421456-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed