SCHEMBL7423725

SCHEMBL7423725

CCCc1c(C(=O)C(C)C)c2ccc(NC=O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
TNF P01375 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGLN3 Q9H6Z9 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
SCHEMBL7471782 0.88 PTGES (0.46) PTGESMAPTALDH1A1HPGDTNF
SCHEMBL7427942 0.87 PTGES (0.43) PTGESMAPTALDH1A1HPGDTNF
SCHEMBL7417850 0.84 L3MBTL1 (0.40) PTGESMAPTALDH1A1TNFKDM4E
SCHEMBL7421254 0.83 PTGES (0.41) PTGESMAPTALDH1A1HPGDTNF
SCHEMBL7420327 0.83 ALOX5AP (0.46) TNFLMNAKDM4ENOD2NOD1
SCHEMBL3842264 0.83 CNR2 (0.47) MAPTALDH1A1TNFKDM4ENOD2
SCHEMBL7427533 0.83 ALOX5AP (0.46) PTGESALDH1A1L3MBTL1RXFP1TP53
Hydrochloric Acid SCHEMBL7477963 0.83 L3MBTL1 (0.39) PTGESMAPTALDH1A1TNFKDM4E
SCHEMBL7425401 0.82 MAPT (0.43) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL7428111 0.82 HDAC8 (0.44) PTGESRXFP1TP53EGLN3

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