SCHEMBL9447795

SCHEMBL9447795

O=C1CN2N=Cc3ccccc3C2=N1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL7868294 0.70 KDM4E (0.36) KDM4EALDH1A1GAASMN1; SMN2CYP2D6
SCHEMBL10465075 0.68 CYP2D6 (0.56) KDM4EALDH1A1GAASMN1; SMN2CYP2D6
SCHEMBL13435562 0.65 KDM4E (0.33) KDM4EALDH1A1KMT2A
SCHEMBL9414994 0.63 KDM4E (0.41) KDM4EALDH1A1GAASMN1; SMN2CYP2D6
SCHEMBL9604540 0.62 CYP2D6 (0.47) KDM4EALDH1A1GAASMN1; SMN2CYP2D6
SCHEMBL555661 0.58 ALOX15 (0.39) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL113314 0.57 GSK3B (0.40) KDM4EALDH1A1SMN1; SMN2CYP2D6KMT2A
SCHEMBL29394879 0.57 GSK3B (0.40) KDM4EALDH1A1SMN1; SMN2CYP2D6KMT2A
SCHEMBL691141 0.57 MEN1 (0.35) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL1746007 0.56 NPC1 (0.39) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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
JP-5065215-A None JP disclosed
JP-H0565215-A HAIR GROWTH AGENT KAO CORP 1993-03-19 JP disclosed