SCHEMBL19657535

SCHEMBL19657535

CCc1cnc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ PDE6A P16499 2/20 0.42
▸ PDE6B P35913 2/20 0.42
▸ PDE1A P54750 2/20 0.42
▸ PDE1B Q01064 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ PDE1C Q14123 2/20 0.42
▸ GRIN1 Q05586 10/20 0.38
▸ GRIN2B Q13224 10/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL7415204 0.80 HSD17B10 (0.53) HSD17B10HPGDHTTGRIN1GRIN2B
SCHEMBL19657540 0.76 HSD17B10 (0.65) HSD17B10HPGDHTTGRIN1GRIN2B
SCHEMBL25407471 0.74 HSD17B10 (0.62) HSD17B10HPGDHTTPDE4D
SCHEMBL3513392 0.74 HSD17B10 (1.00) HSD17B10HPGDHTTPDE4D
SCHEMBL30349792 0.74 HSD17B10 (0.62) HSD17B10HPGDHTTPDE4D
SCHEMBL12136691 0.72 RAB9A (0.57) HSD17B10HTTRAB9ANPC1
SCHEMBL11922125 0.71 HSD17B10 (0.59) HSD17B10HPGDHTTGRIN1GRIN2B
SCHEMBL21024080 0.71 HSD17B10 (0.59) HSD17B10HPGDHTTPDE6APDE6B
SCHEMBL25606475 0.71 PDE6A (0.38) HSD17B10HPGDHTTPDE6APDE6B
SCHEMBL19657844 0.70 RAB9A (0.39) HSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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