SCHEMBL7420795

SCHEMBL7420795

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)O)cc2n1Cc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44
AKR1B1 P15121 4/20 0.42
AKR1A1 P14550 1/20 0.42
MAPT P10636 2/20 0.39
TBXA2R P21731 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGFR P43088 1/20 0.37
S1PR3 Q99500 2/20 0.35
ALOX5AP P20292 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL7420923 0.92 AKR1B1 (0.40) AGTR1AGTR2AKR1B1AKR1A1MAPT
SCHEMBL7425649 0.90 MAPT (0.47) AGTR1AGTR2AKR1B1AKR1A1MAPT
SCHEMBL7427469 0.89 AGTR1 (0.40) AGTR1AGTR2AKR1B1AKR1A1ALOX5AP
SCHEMBL7425450 0.87 AGTR1 (0.46) AGTR1AGTR2MAPTMEN1KMT2A
SCHEMBL7419910 0.83 AGTR1 (0.46) AGTR1AGTR2S1PR3
SCHEMBL7425218 0.83 MEN1 (0.42) AGTR1AGTR2MAPTMEN1KMT2A
SCHEMBL7418814 0.81 OXER1 (0.41) MAPTMEN1KMT2AALOX5APCYP1A2
SCHEMBL7421489 0.81 SLC22A12 (0.43) AGTR1AGTR2MAPTMEN1KMT2A
SCHEMBL7425567 0.80 ALOX5AP (0.36) AGTR1AGTR2AKR1B1AKR1A1KMT2A
SCHEMBL7419333 0.80 AGTR1 (0.40) AGTR1AGTR2AKR1B1AKR1A1S1PR3

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