SCHEMBL7830685

SCHEMBL7830685

Cc1cc(=O)n(CCCCl)c(=O)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.45
ATM Q13315 1/20 0.45
C5AR1 P21730 1/20 0.45
NOTUM Q6P988 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL7831973 0.94 KMT2A (0.55) KMT2ABCHEACHEHPGDMEN1
SCHEMBL7835720 0.86 KMT2A (0.69) KMT2ABCHEACHEHPGDMEN1
SCHEMBL7847653 0.81 HPGD (0.51) KMT2AHPGDMEN1SMN1; SMN2CYP3A4
SCHEMBL4771735 0.77 BCHE (0.56) KMT2ABCHEACHEHPGDMEN1
SCHEMBL11196780 0.77 KDM4E (0.49) HPGDSMN1; SMN2C5AR1MAPTALDH1A1
SCHEMBL7822006 0.77 LGMN (0.44) SMN1; SMN2C5AR1ALDH1A1LMNACCNB2
SCHEMBL7830852 0.77 CCNB2 (0.43) KMT2AMEN1SMN1; SMN2C5AR1ALDH1A1
SCHEMBL7834893 0.76 POLB (0.44) SMN1; SMN2C5AR1MAPTCCNB2CDK1
SCHEMBL4490722 0.76 KMT2A (0.64) KMT2AHPGDMEN1MAPK1SMN1; SMN2
SCHEMBL7830409 0.74 MAPK14 (0.44) KMT2AHPGDMEN1SMN1; SMN2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed