SCHEMBL4304978

SCHEMBL4304978

CCOC(=O)c1cc(OCCCCO[Si](C)(C)C(C)(C)C)nn1CC(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ELANE P08246 2/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
XPO1 O14980 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 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
SCHEMBL4309925 0.98 KMT2A (0.41) KMT2AELANELMNATP53SMN1; SMN2
SCHEMBL4308201 0.96 KMT2A (0.41) KMT2AELANELMNATP53SMN1; SMN2
SCHEMBL4302638 0.87 RXFP1 (0.37) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL4306446 0.86 CNR2 (0.39) KMT2ALMNATP53SMN1; SMN2MEN1
SCHEMBL4308163 0.82 KCNN4 (0.33) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL4304177 0.77 THRB (0.34) KMT2ASMN1; SMN2MEN1ALDH1A1L3MBTL1
SCHEMBL17410073 0.75 ERCC5 (0.42) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL26924584 0.75 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL17410087 0.74 ERCC5 (0.43) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL4304235 0.73 MAPT (0.37) KMT2ALMNATP53SMN1; SMN2HPGD

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