SCHEMBL7428288

SCHEMBL7428288

CCc1c(C(=O)C(C)C)c2ccc(C#N)cc2n1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.47
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 0.92 ALOX5AP (0.46) ALOX5APLMNAHTTDPP4KCNH2
SCHEMBL7423106 0.89 ALOX5AP (0.42) ALOX5APDPP4KCNH2L3MBTL1SLC16A3
SCHEMBL7428819 0.84 ALOX5AP (0.47) ALOX5APDPP4L3MBTL1ALDH1A1MEN1
SCHEMBL7420321 0.83 ALOX5AP (0.48) ALOX5APDPP4L3MBTL1TSHRKDM4E
SCHEMBL7468891 0.81 MAPT (0.44) ALOX5APLMNADPP4L3MBTL1TSHR
SCHEMBL7707842 0.77 ALOX5AP (0.45) ALOX5APDPP4L3MBTL1ALDH1A1MEN1
SCHEMBL7468888 0.77 F2RL3 (0.38) ALOX5APL3MBTL1TSHRKDM4ETNF
SCHEMBL7417850 0.77 L3MBTL1 (0.40) ALOX5APL3MBTL1TSHRKDM4ETNF
SCHEMBL7428018 0.77 ALOX5AP (0.44) ALOX5APDPP4KCNH2SLC16A3SLC16A1
SCHEMBL7427533 0.76 ALOX5AP (0.46) ALOX5APDPP4L3MBTL1ALDH1A1MEN1

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
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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed