SCHEMBL14679142

SCHEMBL14679142

Cc1ccc(CNC(=O)CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
KMT2A Q03164 6/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
HTT P42858 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
NPC1 O15118 2/20 0.53

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
SCHEMBL13102979 0.98 HPGD (0.71) HPGDKMT2ACA1CA2CA7
SCHEMBL18617528 0.88 HPGD (0.58) HPGDKMT2ACA1CA2CA7
SCHEMBL12993899 0.87 KMT2A (0.64) HPGDKMT2ACA1CA2CA7
SCHEMBL9615508 0.86 L3MBTL1 (0.62) HPGDKMT2ACA1CA2CA7
SCHEMBL18659987 0.86 CA1 (0.60) HPGDKMT2ACA1CA2CA7
SCHEMBL14679139 0.86 KMT2A (0.67) HPGDKMT2ACA1CA2CA7
SCHEMBL6192050 0.86 KMT2A (0.78) KMT2ACA1CA2CA7CA9
SCHEMBL10195736 0.85 HTT (0.76) HPGDKMT2ACA1CA2CA7
SCHEMBL14679161 0.85 HPGD (0.59) HPGDKMT2ACA1CA2CA7
SCHEMBL14679394 0.84 KMT2A (0.56) HPGDKMT2AHTTMEN1USP2

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
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed