SCHEMBL7428018

SCHEMBL7428018

CCCc1c(C(O)C(C)C)c2ccc(C#N)cc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.44
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
F2RL3 Q96RI0 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34

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
SCHEMBL7420327 0.83 ALOX5AP (0.46) ALOX5APDPP4KCNH2SLC16A3SLC16A1
SCHEMBL8554083 0.81 ALOX5AP (0.43) ALOX5APDPP4KCNH2F2RL3ALDH1A1
SCHEMBL7428288 0.77 ALOX5AP (0.47) ALOX5APDPP4KCNH2MEN1ALDH1A1
SCHEMBL7428583 0.74 ALOX5AP (0.45) ALOX5APDPP4MEN1ALDH1A1KMT2A
SCHEMBL7423106 0.73 ALOX5AP (0.42) ALOX5APDPP4KCNH2MEN1ALDH1A1
SCHEMBL6170454 0.72 ALOX5AP (0.55) ALOX5APMEN1ALDH1A1KMT2A
SCHEMBL7422715 0.71 SLC22A12 (0.42) ALOX5APDPP4MEN1ALDH1A1KMT2A
SCHEMBL7423371 0.70 ALDH1A1 (0.41) ALOX5APDPP4MEN1ALDH1A1KMT2A
SCHEMBL7416354 0.69 MAPT (0.43) DPP4F2RL3MEN1ALDH1A1KMT2A
SCHEMBL7707842 0.68 ALOX5AP (0.45) ALOX5APDPP4MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed