SCHEMBL9040334

SCHEMBL9040334

CCn1nc(N)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ BRD9 Q9H8M2 2/20 0.42
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ BRD7 Q9NPI1 1/20 0.35

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
SCHEMBL11153077 0.83 ALDH1A1 (0.81) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11552755 0.81 KDM4E (0.64) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11552751 0.81 KDM4E (0.64) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL9358611 0.80 KDM4E (0.62) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL29471771 0.80 KDM4E (1.00) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL43770 0.80 KDM4E (1.00) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL16450335 0.80 ALDH1A1 (0.81) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL28034323 0.79 KDM4E (0.97) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL28034322 0.79 KDM4E (0.97) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11149202 0.76 ALDH1A1 (0.70) KDM4EALDH1A1LMNATSHRBLM

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
EP-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 — — EP claimed
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