SCHEMBL7960027

SCHEMBL7960027

Cc1cn(CCCN)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 3/20 0.43
ATM Q13315 1/20 0.43
C5AR1 P21730 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41

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
Hydrochloric Acid SCHEMBL7957421 0.99 MEN1 (0.49) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL7959507 0.89 HPGD (0.46) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL7961055 0.88 HPGD (0.45) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL7830310 0.88 MEN1 (0.48) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL7822161 0.84 L3MBTL1 (0.56) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6283595 0.78 L3MBTL1 (0.50) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7832968 0.77 HPGD (0.47) MEN1KMT2AHPGDSMN1; SMN2BRD4
SCHEMBL6215297 0.76 HPGD (0.49) MEN1KMT2AHPGDBRD4ATM
SCHEMBL7949237 0.76 HPGD (0.46) MEN1KMT2AHPGDBRD4ATM
SCHEMBL7959350 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232318-B1 COMPOUNDS SUCH AS 1-BENZYL-3-(3-(4-(4-FLUOROPHENYL)PIPERIDIN -1-YL)PROPYL)-5-METHYL-1H-PYRIMIDINE-2,4-DIONE; PROVIDES RELIEF TO MALES SUFFERING FROM BENIGN PROSTATIC HYPERPLASIA MERCK & CO., LTD. 2001-05-15 US disclosed
WO-2000029386-A1 PYRIMIDINEDIONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-25 WO disclosed