SCHEMBL9041922

SCHEMBL9041922

CCn1nc(N)c(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RX4 Q99571 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GLS O94925 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL14216404 0.86 SLC9A1 (0.43) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL9882815 0.81 ALDH1A1 (0.53) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL9041703 0.81 P2RX4 (0.54) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL9043723 0.80 ALDH1A1 (0.51) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL9042310 0.80 KDM4C (0.43) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL9042123 0.80 CASP3 (0.41) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL9042883 0.78 LMNA (0.42) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL9042400 0.78 MAPK8 (0.44) CDK1
SCHEMBL9043059 0.78 MAPK8 (0.53) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL9041998 0.78 ALDH1A1 (0.49) ALDH1A1MAPTPDE4APDE4BPDE4C

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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