SCHEMBL7422758

SCHEMBL7422758

CCCc1cc2ccc(C(=O)NC)cc2n1Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
RORC P51449 1/20 0.40
PPARG P37231 2/20 0.39
ACSS2 Q9NR19 2/20 0.39
PLK1 P53350 1/20 0.39
NQO2 P16083 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
KIF11 P52732 2/20 0.37
PTK2 Q05397 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7425963 0.88 AGTR1 (0.51) AGTR1AGTR2PPARGACSS2MAPT
SCHEMBL7418922 0.87 PTGDR2 (0.41) AGTR1AGTR2PPARGACSS2MAPT
SCHEMBL7423816 0.87 AGTR1 (0.43) AGTR1AGTR2PPARGACSS2KIF11
SCHEMBL4875898 0.75 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL7422231 0.74 MAPT (0.47) PPARGMAPTLMNA
SCHEMBL7423713 0.74 ALOX5AP (0.46) PPARGLMNA
SCHEMBL7675982 0.69 TDP1 (0.57) AGTR1AGTR2PPARGACSS2MAPT
SCHEMBL7426778 0.67 AGTR1 (0.40) AGTR1AGTR2ACSS2
SCHEMBL6168445 0.66 AGTR1 (0.53) AGTR1AGTR2PPARGMAPT
SCHEMBL7422763 0.66 NPC1 (0.42) AGTR1AGTR2PPARGHDAC3HDAC1

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