SCHEMBL7416246

SCHEMBL7416246

CCCc1[nH]c2cc(C(=O)OCc3ccccc3)ccc2c1C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
RAB9A P51151 9/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HCRTR1 O43613 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
SCHEMBL8557670 0.85 KMT2A (0.53) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL7422800 0.84 KMT2A (0.58) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL7422734 0.82 KDM4E (0.44) ALDH1A1KMT2ATDP1MEN1L3MBTL1
SCHEMBL8556645 0.81 PARP1 (0.52) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7424222 0.79 HSD17B10 (0.43) ALDH1A1LMNAKMT2ATDP1SLC6A2
SCHEMBL8553082 0.77 KIF11 (0.52) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL8552714 0.76 KIF11 (0.49) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL8624225 0.76 ROCK2 (0.41) ALOX5MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7707705 0.75 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL7470065 0.75 MEN1 (0.68) RAB9AMAPTALDH1A1NPC1SMN1; SMN2

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