SCHEMBL5307288

SCHEMBL5307288

CCC(=O)c1cccc(OC)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
KAT6A Q92794 1/20 0.49
NPC1 O15118 4/20 0.46
CTSD P07339 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 2/20 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
SCHEMBL5051513 0.84 HPGDS (0.55) KAT6ANPC1CTSDSMN1; SMN2CA12
SCHEMBL2850796 0.84 HMGCR (0.51) HMGCRNPC1SMN1; SMN2CA9RAB9A
SCHEMBL12780447 0.83 F2R (0.44) KMT2AGAAMEN1ALDH1A1L3MBTL1
SCHEMBL878658 0.83 NPC1 (0.64) HMGCRNPC1CTSDSMN1; SMN2RAB9A
SCHEMBL10954882 0.83 KAT6A (0.52) KAT6ANPC1CTSDSMN1; SMN2CA12
SCHEMBL29738645 0.83 NPC1 (0.64) HMGCRNPC1CTSDSMN1; SMN2RAB9A
SCHEMBL8523809 0.83 KAT6A (0.57) KAT6ANPC1CTSDSMN1; SMN2CA12
SCHEMBL27570696 0.83 NPC1 (0.51) KAT6ANPC1CTSDSMN1; SMN2CA12
SCHEMBL13089201 0.82 HMGCR (0.50) HMGCRNPC1CTSDCA12CA1
SCHEMBL3661643 0.82 HPGD (0.54) HMGCRNPC1SMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed