SCHEMBL9042105

SCHEMBL9042105

CCn1nc(NCc2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ APP P05067 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9042446 0.81 ALDH1A1 (0.49) KMT2AALDH1A1HPGDPDE4APDE4B
SCHEMBL9042355 0.76 CNR2 (0.60) ALDH1A1BCHEACHEPDE4APDE4B
SCHEMBL9882815 0.73 ALDH1A1 (0.53) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL9042252 0.73 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1BCHEACHE
SCHEMBL9043723 0.72 ALDH1A1 (0.51) KMT2AALDH1A1HPGDPDE4APDE4B
SCHEMBL9041922 0.72 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HPGDPDE4A
SCHEMBL7299091 0.71 TSHR (0.56) KMT2AMEN1ALDH1A1HPGDP2RX4
SCHEMBL9041998 0.70 ALDH1A1 (0.49) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7305503 0.69 ALDH1A1 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL958429 0.69 KDM4E (0.57) KMT2AMEN1ALDH1A1ADORA3ADORA1

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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