SCHEMBL30979101

SCHEMBL30979101

C=Cc1ccc2c(NC)nc3nncn3c2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAT2A P31153 2/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL30978936 0.80 KDM4E (0.34) HRH4KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL23601428 0.80 MAT2A (0.48) HRH4MAPTSMN1; SMN2MAT2A
SCHEMBL30978994 0.80 TOP2A (0.40) TOP2AHRH4KDM4EMAPTSMN1; SMN2
SCHEMBL30979084 0.80 TOP2A (0.43) TOP2AKDM4EMAPTMAT2AALDH1A1
SCHEMBL29909120 0.76 TOP2A (0.54) TOP2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL30979110 0.75 TOP2A (0.39) TOP2AKDM4EMAPTMAT2AALDH1A1
SCHEMBL30979012 0.74 HRH4 (0.43) TOP2AHRH4KDM4EMAPTALDH1A1
SCHEMBL30920847 0.73 KDM4E (0.39) TOP2AKDM4EMAPTSMN1; SMN2
SCHEMBL30961002 0.73 MAPT (0.35) KDM4EMAPTSMN1; SMN2
SCHEMBL23576806 0.73 MAPT (0.35) KDM4EMAPTSMN1; SMN2

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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
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