SCHEMBL6258475

SCHEMBL6258475

COC(=O)C1CCC(n2cnc3ccc(C=C4SC(=O)NC4=O)cc32)CC1.O=C1NC(=O)C(=Cc2ccc3ncn(CCc4ccc(O)cc4)c3c2)S1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 19/20 0.47
PTPN1 P18031 1/20 0.37
AKR1B1 P15121 1/20 0.37
GSK3B P49841 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2882247 0.88 HPGD (0.56) HPGD
SCHEMBL2882246 0.88 HPGD (0.56) HPGD
SCHEMBL2877670 0.84 HPGD (0.52) HPGDPTPN1AKR1B1GSK3BRAB9A
SCHEMBL6422799 0.84 HPGD (0.52) HPGDPTPN1AKR1B1GSK3BRAB9A
SCHEMBL2877667 0.84 HPGD (0.52) HPGDPTPN1AKR1B1GSK3BRAB9A
SCHEMBL2880319 0.78 PIK3CD (0.48) HPGDAKR1B1RAB9A
SCHEMBL2880317 0.78 PIK3CD (0.48) HPGDAKR1B1RAB9A
SCHEMBL2883618 0.76 PDE4B (0.58) HPGDGSK3B
SCHEMBL2883617 0.76 PDE4B (0.58) HPGDGSK3B
SCHEMBL2882116 0.74 HPGD (0.56) HPGDPTPN1AKR1B1RAB9A

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 claimed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO claimed