SCHEMBL8865283

SCHEMBL8865283

COc1ccc2c(c1OC)CC=C2c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CRBN Q96SW2 1/20 0.30

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
SCHEMBL27773277 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDCRBN
SCHEMBL7102993 0.72 MEN1 (0.37) KDM4E
SCHEMBL8865619 0.72 CYP3A4 (0.45) KDM4EALDH1A1
SCHEMBL10681803 0.65 KDM4E (0.46) KDM4EALDH1A1HPGDACHECA1
SCHEMBL7608467 0.65 HTR6 (0.31)
SCHEMBL8866074 0.65 ADRA1A (0.45) KDM4EALDH1A1HPGD
SCHEMBL7103836 0.65 TDP1 (0.35) ALDH1A1HPGD
SCHEMBL29021937 0.64 PDGFRB (0.47) KDM4EALDH1A1HPGD
SCHEMBL2096746 0.64 METAP2 (0.51) ALDH1A1HPGDCA1CA2CA4
SCHEMBL26259644 0.64 HIF1A (0.41) KDM4EALDH1A1HPGDACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054376-C Substituted 1H-imidazoles UCB SA (BE) 2000-07-12 CN disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
CN-1133837-A Substituted 1H-imidazoles UCB SA (BE) 1996-10-23 CN disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed