SCHEMBL10779772

SCHEMBL10779772

c1ncn(CCn2cnnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 2/20 0.48
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP19A1 P11511 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FDPS P14324 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL15568358 0.74 MEN1 (0.33) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL2266344 0.71
SCHEMBL45842 0.71
SCHEMBL855088 0.71
SCHEMBL4022901 0.71
SCHEMBL573400 0.71
SCHEMBL4573463 0.71
SCHEMBL4156304 0.71
SCHEMBL21051910 0.71
Hydrochloric Acid SCHEMBL25285744 0.70

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
EP-0111711-B1 HETEROCYCLICALLY SUBSTITUTED HYDROXYALKYL-AZOLYL DERIVATIVES BAYER AG (DE) 1987-03-18 EP claimed
EP-0111146-B1 ANTI-MYCOTIC HYDROXYALKYL-AZOLYL DERIVATIVES BAYER AG (DE) 1986-12-30 EP disclosed