SCHEMBL4307697

SCHEMBL4307697

CCOC(=O)c1cc(OCCCCO[Si](C)(C)C(C)(C)C)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALPL P05186 3/20 0.42
MAPT P10636 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HPGDS O60760 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACR P10323 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4305120 0.98 KMT2A (0.46) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL4302712 0.94 KMT2A (0.47) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL16270147 0.82 KMT2A (0.49) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL4305117 0.82 KMT2A (0.41) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL22574774 0.80 MAPT (0.49) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL3261535 0.79 ALPL (0.54) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL16445052 0.78 MAPT (0.50) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL5725305 0.76 HCAR2 (0.45) KMT2AMAPTL3MBTL1TP53NPSR1
SCHEMBL1455903 0.75 MAPT (0.47) KMT2AALPLMAPTRAB9ANPC1
SCHEMBL27258762 0.75 ALPL (0.47) KMT2AALPLMAPTRAB9ANPC1

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-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed