SCHEMBL7425576

SCHEMBL7425576

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
AKR1B1 P15121 3/20 0.38
AKR1A1 P14550 1/20 0.38
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TBXA2R P21731 2/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MAPK14 Q16539 1/20 0.34
PLA2G2A P14555 1/20 0.34
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
TRPA1 O75762 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 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
SCHEMBL7424199 0.90 PLA2G2A (0.34) AKR1B1AKR1A1SMN1; SMN2AGTR1AGTR2
SCHEMBL7426312 0.90 OXER1 (0.36) AKR1B1AKR1A1AGTR1AGTR2MAPK14
SCHEMBL7420923 0.86 AKR1B1 (0.40) MAPTAKR1B1AKR1A1TBXA2RAGTR1
SCHEMBL7422341 0.84 TP53 (0.41) MAPTSMN1; SMN2PLA2G2APOLBMEN1
SCHEMBL7420896 0.82 LMNA (0.40) MAPTSMN1; SMN2PLA2G2A
SCHEMBL7423692 0.81 ALOX5AP (0.41) MAPTPLA2G2AMEN1KMT2A
SCHEMBL7425649 0.80 MAPT (0.47) MAPTAKR1B1AKR1A1TBXA2RAGTR1
SCHEMBL7420795 0.78 AGTR1 (0.44) MAPTAKR1B1AKR1A1TBXA2RAGTR1
SCHEMBL7426123 0.78 SLC22A12 (0.39) MAPTHTTSMN1; SMN2PLA2G2AMEN1
SCHEMBL7425567 0.76 ALOX5AP (0.36) AKR1B1AKR1A1SMN1; SMN2AGTR1AGTR2

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