SCHEMBL7821322

SCHEMBL7821322

COc1ccc(Cn2cc(C#N)c(=O)n(CCCCl)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
XDH P47989 1/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
CMA1 P23946 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL7833726 0.84 MEN1 (0.47) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL7836731 0.83 MAPT (0.46) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL7821926 0.81 HTR7 (0.56) KMT2A
Hydrochloric Acid SCHEMBL7831049 0.80 HTR7 (0.55) ALDH1A1MAPTKMT2A
SCHEMBL7830417 0.72 L3MBTL1 (0.64) ALDH1A1KDM4EXDHMAPTCMA1
SCHEMBL9356586 0.70 KDM4E (0.56) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL7832968 0.68 HPGD (0.47) SMN1; SMN2POLBKMT2AHPGD
SCHEMBL7652274 0.68 P2RX4 (0.61) ALDH1A1MAPTTP53SMN1; SMN2POLB
SCHEMBL7833125 0.67 POLB (0.43) TP53SMN1; SMN2POLBKMT2AGSK3A
SCHEMBL7651126 0.67 MAPT (0.72) MAPTTP53KMT2A

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