SCHEMBL6964602

SCHEMBL6964602

O=C1CCc2cccc3ccn1c23

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.37
CYP2A6 P11509 1/20 0.35
PARP1 P09874 1/20 0.35
SRD5A1 P18405 1/20 0.35
SLC9A1 P19634 1/20 0.33
MCL1 Q07820 1/20 0.33
POLB P06746 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
SCHEMBL6200485 0.77 PARP1 (0.36) PARP1
SCHEMBL6625356 0.69 PARP1 (0.32) PARP1
SCHEMBL64500 0.67 PARP1 (0.45) PARP1MCL1
SCHEMBL1395813 0.64 MCL1 (0.44) PARP1MCL1
SCHEMBL30955312 0.64 MCL1 (0.44) PARP1MCL1
SCHEMBL10647007 0.63 L3MBTL1 (0.44) CYP2A6SRD5A1POLB
SCHEMBL4421682 0.63 HTR1A (0.46) MCL1POLB
SCHEMBL2266482 0.63 PARP1 (0.41) PARP1SLC9A1MCL1
SCHEMBL12037714 0.62 PARP1 (0.41) ACHEPARP1SLC9A1MCL1
SCHEMBL6798145 0.62 PARP1 (0.41) ACHEPARP1SLC9A1MCL1

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-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed
US-4598156-A Process for producing indoles unsubstituted in the 2,3-position and N(3-chloropropionyl)indole produced thereby CIBA GEIGY CORPORATION (US) 1986-07-01 US disclosed