SCHEMBL7831973

SCHEMBL7831973

Cc1cc(=O)n(Cc2ccccc2)c(=O)n1CCCCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ BCHE P06276 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPK1 P28482 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
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 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
SCHEMBL7830685 0.94 KMT2A (0.58) KMT2ABCHEACHEHPGDSMN1; SMN2
SCHEMBL7835720 0.86 KMT2A (0.69) KMT2ABCHEACHEHPGDSMN1; SMN2
SCHEMBL7847653 0.84 HPGD (0.51) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL4771735 0.77 BCHE (0.56) KMT2ABCHEACHEHPGDSMN1; SMN2
SCHEMBL11196780 0.77 KDM4E (0.49) HPGDSMN1; SMN2C5AR1ALDH1A1LMNA
SCHEMBL7830852 0.77 CCNB2 (0.43) KMT2ASMN1; SMN2MEN1C5AR1ALDH1A1
SCHEMBL7822006 0.77 LGMN (0.44) SMN1; SMN2C5AR1ALDH1A1LMNACCNB2
SCHEMBL7834893 0.76 POLB (0.44) SMN1; SMN2C5AR1MAPTCCNB2CDK1
SCHEMBL11730687 0.76 HPGD (0.59) KMT2AHPGDSMN1; SMN2MEN1MAPK1
SCHEMBL14038766 0.73 KMT2A (0.56) KMT2AHPGDSMN1; SMN2MEN1MAPK1

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
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