SCHEMBL7463557

SCHEMBL7463557

CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIF11 P52732 2/20 0.44
PLA2G2A P14555 3/20 0.43
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR3A P46098 1/20 0.38

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
SCHEMBL7422911 0.91 AGTR1 (0.48) MEN1KMT2AGAASMN1; SMN2PLA2G2A
SCHEMBL7468201 0.91 MEN1 (0.43) MEN1KMT2AGAASMN1; SMN2RXFP1
SCHEMBL7472399 0.87 ALDH1A1 (0.39) MEN1KMT2AGAASMN1; SMN2PLA2G2A
SCHEMBL7419765 0.87 PLA2G2A (0.39) KMT2APLA2G2ACNR2
SCHEMBL7470934 0.87 PLA2G2A (0.38) MEN1KMT2AKIF11PLA2G2ATP53
SCHEMBL7420760 0.87 PLA2G2A (0.38) KMT2APLA2G2AAGTR1AGTR2NPSR1
SCHEMBL29611861 0.87 ALOX5AP (0.47) MEN1KMT2APLA2G2ARXFP1TP53
SCHEMBL7422125 0.87 AGTR1 (0.39) MEN1KMT2APLA2G2AAGTR1AGTR2
Hydrochloric Acid SCHEMBL7418164 0.87 PLA2G2A (0.38) KMT2APLA2G2A
SCHEMBL687131 0.87 ALOX5AP (0.47) MEN1KMT2APLA2G2ARXFP1TP53

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