SCHEMBL9358741

SCHEMBL9358741

Cc1cc2c(-c3ccccc3C)c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c2cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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 0.93 HTT (0.47) HSD17B10NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7642011 0.90 HTT (0.45) HSD17B10NPC1HTTRAB9ASMN1; SMN2
SCHEMBL9359324 0.89 KDM4E (0.46) HTT
SCHEMBL9240842 0.86 NPC1 (0.47) HSD17B10NPC1HTTRAB9ASMN1; SMN2
SCHEMBL9363467 0.83 KDM4E (0.47)
SCHEMBL9359237 0.82 NPC1 (0.40) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL9155117 0.80 NPC1 (0.42) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL9359150 0.80 PKM (0.46) HSD17B10NPC1
SCHEMBL9359029 0.80 RECQL (0.45) HSD17B10NPC1HTT
SCHEMBL9177141 0.78 TACR1 (0.50) HSD17B10NPC1HTTRAB9ASMN1; SMN2

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 6 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-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