SCHEMBL8876534

SCHEMBL8876534

C=CCc1cccc2c(=O)c(C)c(-c3ccccc3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
MAP4K4 O95819 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
PIM1 P11309 1/20 0.49
LTK P29376 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
CDK8 P49336 1/20 0.49
CLK2 P49760 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
ACVR1 Q04771 1/20 0.49
PTK2 Q05397 1/20 0.49
MAP4K2 Q12851 1/20 0.49
IKBKE Q14164 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL14266220 0.85 LMNA (0.55) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL5118184 0.84 LMNA (0.54) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL5116298 0.83 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8874632 0.83 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875855 0.81 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875368 0.81 GLA (0.63) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876597 0.80 LMNA (0.42) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL9166473 0.79 MEN1 (0.42) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL9166470 0.79 MEN1 (0.42) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL27402372 0.79 LMNA (0.45) LMNAMAPTSMN1; SMN2NPSR1GAA

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
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed