SCHEMBL7424707

SCHEMBL7424707

CCCC#Cc1cc(C(=O)OC)ccc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
ERAP2 Q6P179 2/20 0.43
LNPEP Q9UIQ6 2/20 0.43
KMT2A Q03164 4/20 0.43
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 8/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 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
SCHEMBL7427803 0.90 ALDH1A1 (0.53) ALDH1A1ERAP2LNPEPKMT2AHDAC1
SCHEMBL2236956 0.81 ALDH1A1 (0.50) ALDH1A1ERAP2LNPEPKMT2AHDAC1
SCHEMBL18738286 0.79 PTPN11 (0.46) ALDH1A1KMT2AHDAC1KDM4EHPGD
SCHEMBL6705713 0.79 MGLL (0.44) ALDH1A1ERAP2LNPEPKMT2AKDM4E
SCHEMBL7416386 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AHDAC1KDM4EHPGD
SCHEMBL10291099 0.77 MAPT (0.49) ALDH1A1ERAP2LNPEPKMT2AKDM4E
SCHEMBL378369 0.76 KMT2A (0.41) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL7532781 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AHDAC1KDM4EHPGD
SCHEMBL7473563 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AHDAC1KDM4EHPGD
SCHEMBL12348380 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AHDAC1KDM4EHPGD

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