SCHEMBL30979012

SCHEMBL30979012

CNc1nc2nncn2c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GALR2 O43603 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ FGFR1 P11362 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
SCHEMBL30013724 0.81 HRH4 (0.43) HRH4HRH3L3MBTL1MAPTKDM4E
SCHEMBL30979120 0.81 HRH4 (0.46) HRH4HRH3MAPTALDH1A1FGFR1
SCHEMBL23577365 0.81 HRH4 (0.43) HRH4HRH3L3MBTL1MAPTKDM4E
SCHEMBL30979084 0.78 TOP2A (0.43) MAPTKDM4ETOP2AALDH1A1
SCHEMBL23601428 0.78 MAT2A (0.48) HRH4MAPT
SCHEMBL30978994 0.78 TOP2A (0.40) HRH4MAPTKDM4ETOP2AALDH1A1
SCHEMBL30979023 0.77 MAPT (0.44) HRH4HRH3L3MBTL1MAPTKDM4E
SCHEMBL23577151 0.75 ABCG2 (0.47) HRH4HRH3L3MBTL1MAPTALDH1A1
SCHEMBL30014094 0.75 ABCG2 (0.47) HRH4HRH3L3MBTL1MAPTALDH1A1
SCHEMBL30979101 0.74 TOP2A (0.37) HRH4MAPTKDM4ETOP2AALDH1A1

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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