SCHEMBL7422342

SCHEMBL7422342

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cc2n1Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.42
MAPT P10636 6/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK14 Q16539 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGER4 P35408 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 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
SCHEMBL7416292 0.90 S1PR3 (0.46) S1PR3MAPTALDH1A1MEN1KMT2A
SCHEMBL7468201 0.90 MEN1 (0.43) S1PR3MAPTMEN1KMT2ANPSR1
SCHEMBL7470080 0.90 S1PR3 (0.41) S1PR3MAPTKDM4EMAPK14PPARG
SCHEMBL7425401 0.90 MAPT (0.43) S1PR3MAPTKDM4EALDH1A1MEN1
SCHEMBL7420331 0.90 S1PR3 (0.41) S1PR3MAPTKDM4EMEN1KMT2A
SCHEMBL7421489 0.89 SLC22A12 (0.43) S1PR3MAPTKDM4EALDH1A1MEN1
SCHEMBL7424404 0.89 S1PR3 (0.42) S1PR3MAPTKDM4EALDH1A1TDP1
SCHEMBL7472399 0.88 ALDH1A1 (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7467554 0.87 TSHR (0.43) S1PR3ALDH1A1MEN1KMT2AGAA
SCHEMBL7422972 0.86 HTT (0.45) S1PR3KDM4EMEN1KMT2AHTT

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