SCHEMBL6254891

SCHEMBL6254891

CCOC(=O)C1CCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)CC1.O=C1NC(=O)C(=Cc2ccc3ncnc(N4CCCC(C(=O)O)C4)c3c2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 5/20 0.47
PSMD14 O00487 1/20 0.46
DYRK1A Q13627 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GPR119 Q8TDV5 2/20 0.43
LMNA P02545 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL2885170 0.93 MEN1 (0.53) MAPK1MEN1KMT2AHPGDPSMD14
SCHEMBL2885173 0.93 MEN1 (0.53) MAPK1MEN1KMT2AHPGDPSMD14
SCHEMBL2877194 0.92 MAPK1 (0.57) MAPK1KMT2AHPGDALDH1A1MAPT
SCHEMBL2877196 0.92 MAPK1 (0.57) MAPK1KMT2AHPGDALDH1A1MAPT
SCHEMBL2882769 0.89 DYRK1A (0.52) HPGDDYRK1ANPC1RAB9A
SCHEMBL12975503 0.89 DYRK1A (0.52) HPGDDYRK1ANPC1RAB9A
SCHEMBL2882765 0.89 DYRK1A (0.52) HPGDDYRK1ANPC1RAB9A
SCHEMBL6424320 0.85 MEN1 (0.41) MAPK1MEN1KMT2AHPGDPSMD14
SCHEMBL6385644 0.85 DYRK1A (0.41) HPGDDYRK1AALDH1A1CYP1A2CLK4
SCHEMBL12975464 0.84 PIK3CD (0.51) HPGDDYRK1AALDH1A1CYP1A2CYP3A4

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
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO disclosed