SCHEMBL7420923

SCHEMBL7420923

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.40
AKR1A1 P14550 1/20 0.40
MAPT P10636 3/20 0.38
TBXA2R P21731 2/20 0.38
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PPARG P37231 2/20 0.33
S1PR3 Q99500 2/20 0.33
HSP90B1 P14625 1/20 0.33

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
SCHEMBL7420795 0.92 AGTR1 (0.44) AKR1B1AKR1A1MAPTTBXA2RAGTR1
SCHEMBL7425649 0.89 MAPT (0.47) AKR1B1AKR1A1MAPTTBXA2RAGTR1
SCHEMBL7425567 0.89 ALOX5AP (0.36) AKR1B1AKR1A1AGTR1AGTR2PPARG
SCHEMBL7419333 0.89 AGTR1 (0.40) AKR1B1AKR1A1AGTR1AGTR2HDAC1
SCHEMBL7481829 0.88 MAPT (0.41) MAPTAGTR1AGTR2S1PR3
SCHEMBL7425576 0.86 MAPT (0.39) AKR1B1AKR1A1MAPTTBXA2RAGTR1
SCHEMBL7422125 0.84 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7472730 0.83 MEN1 (0.39) MAPT
SCHEMBL7420996 0.81 LMNA (0.40) MAPTPPARG
SCHEMBL7419765 0.81 PLA2G2A (0.39) PPARGS1PR3

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