SCHEMBL7420327

SCHEMBL7420327

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.46
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
HSD11B1 P28845 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL7428288 0.92 ALOX5AP (0.47) ALOX5APLMNAHTTDPP4KCNH2
SCHEMBL7707842 0.85 ALOX5AP (0.45) ALOX5APDPP4L3MBTL1
SCHEMBL7417850 0.85 L3MBTL1 (0.40) ALOX5APL3MBTL1TSHRKDM4ETNF
SCHEMBL3842264 0.85 CNR2 (0.47) ALOX5APL3MBTL1TSHRKDM4ETNF
SCHEMBL7427533 0.84 ALOX5AP (0.46) ALOX5APDPP4L3MBTL1
Hydrochloric Acid SCHEMBL7477963 0.84 L3MBTL1 (0.39) ALOX5APL3MBTL1TSHRKDM4ETNF
SCHEMBL29611861 0.83 ALOX5AP (0.47) ALOX5APDPP4L3MBTL1TSHRKDM4E
SCHEMBL687131 0.83 ALOX5AP (0.47) ALOX5APDPP4L3MBTL1TSHRKDM4E
SCHEMBL7423725 0.83 PTGES (0.40) LMNAL3MBTL1KDM4ETNFNOD2
SCHEMBL7428018 0.83 ALOX5AP (0.44) ALOX5APDPP4KCNH2SLC16A3SLC16A1

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