SCHEMBL7423340

SCHEMBL7423340

CCCc1[nH]c2cc(C(=O)OC)ccc2c1C(=O)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KIF11 P52732 1/20 0.46
NPC1 O15118 1/20 0.45
GSK3B P49841 1/20 0.44
PARP1 P09874 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL7477858 0.98 KMT2A (0.55) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7421012 0.97 KMT2A (0.54) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7476488 0.95 KMT2A (0.57) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7471184 0.87 KDM4E (0.41) KMT2AMEN1ATML3MBTL1PARP1
SCHEMBL7467838 0.86 CHEK2 (0.43) KMT2AMEN1ATML3MBTL1GSK3B
SCHEMBL7461131 0.85 KDM4E (0.41) KMT2AMEN1ATML3MBTL1PARP1
SCHEMBL7425271 0.84 SRD5A2 (0.43) KMT2AMEN1ATML3MBTL1PARP1
SCHEMBL7422886 0.84 CHEK2 (0.46) KMT2AMEN1ATML3MBTL1GSK3B
SCHEMBL7423432 0.83 KMT2A (0.62) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7417074 0.83 CHEK2 (0.47) KMT2AMEN1ATML3MBTL1GSK3B

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