SCHEMBL9042252

SCHEMBL9042252

CCn1nc(OC)c(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ CNR2 P34972 3/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ P2RX4 Q99571 2/20 0.42
▸ ACHE P22303 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL9042355 0.81 CNR2 (0.60) ALDH1A1CNR2CNR1P2RX4ACHE
SCHEMBL9882815 0.79 ALDH1A1 (0.53) ALDH1A1P2RX4CYP2C19LMNAKDM4E
SCHEMBL9043723 0.78 ALDH1A1 (0.51) ALDH1A1P2RX4CYP2C19LMNAKMT2A
SCHEMBL13413651 0.78 MAPT (0.54) ALDH1A1CYP1A2CYP2C19LMNAKMT2A
SCHEMBL9041922 0.78 ALDH1A1 (0.51) ALDH1A1P2RX4KMT2AKDM4EHPGD
SCHEMBL9042446 0.75 ALDH1A1 (0.49) ALDH1A1CNR2P2RX4LMNAKMT2A
SCHEMBL9041998 0.75 ALDH1A1 (0.49) ALDH1A1P2RX4KDM4EPDE4APDE4B
SCHEMBL7299091 0.74 TSHR (0.56) ALDH1A1CNR2P2RX4CYP1A2LMNA
SCHEMBL7305503 0.74 ALDH1A1 (0.47) ALDH1A1CNR2P2RX4PDE4APDE4B
SCHEMBL15833034 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDHTT

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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