SCHEMBL23876103

SCHEMBL23876103

SCNCCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 2/20 0.44
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP19A1 P11511 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL23609758 0.82 EGLN3 (0.46) EGLN3KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL23875663 0.81
SCHEMBL22212153 0.77
SCHEMBL4022901 0.76
SCHEMBL24134598 0.76 EGLN3 (0.41) EGLN3KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL21886558 0.74 EGLN3 (0.47) EGLN3KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL20988256 0.72 EGLN3 (0.41) EGLN3KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL20445070 0.72 EGLN3 (0.53) EGLN3MAPTMEN1KMT2A
SCHEMBL19868522 0.72 EGLN3 (0.41) EGLN3KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL21850758 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed