SCHEMBL9645530

SCHEMBL9645530

CCCOc1c(Cc2c[nH]cn2)cccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL9647591 0.89 CCNE2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL10401911 0.87 CCNB2 (0.36) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9647633 0.87 PDE10A (0.39) MEN1KMT2APDE10APARP1KDM4E
Hydrochloric Acid SCHEMBL10401640 0.86 PDE10A (0.38) MEN1KMT2APDE10APARP1KDM4E
SCHEMBL4759339 0.80 PARP1 (0.39) MEN1KMT2AMAPTPARP1ALDH1A1
Mivazerol SCHEMBL593708 0.79 PARP1 (0.39) MEN1KMT2AMAPTPDE10APARP1
Mivazerol SCHEMBL8097939 0.79 PARP1 (0.39) MEN1KMT2AMAPTPDE10APARP1
Mivazerol SCHEMBL8865135 0.78 PARP1 (0.38) MEN1KMT2AMAPTPDE10APARP1
SCHEMBL9648172 0.76 MRGPRX4 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10401901 0.75 ALDH1A1 (0.38) KMT2ALMNAMAPTALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 EP disclosed