SCHEMBL27361629

SCHEMBL27361629

CC(C)CNC(=O)CCc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 1/20 0.41
PSMB6 P28072 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB10 P40306 1/20 0.41
PSMB3 P49720 1/20 0.41
PSMB2 P49721 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
SCHEMBL27362659 0.83 CYP1A2 (0.39) HPGDALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL12890296 0.82 ALDH1A1 (0.43) HPGDALDH1A1PSMB11PSMA7PSMB1
SCHEMBL21576120 0.76 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL1532612 0.74 HDAC3 (0.41) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL27942339 0.73 HDAC3 (0.42) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL7004600 0.73 CCNC (0.42) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL13593756 0.73 KDM4E (0.59) HPGDALDH1A1PSMB11PSMA7PSMB1
SCHEMBL3420004 0.73 ALDH1A1 (0.61) ALDH1A1GAAPSMB11PSMA7PSMB1
SCHEMBL19116553 0.73 HPGD (0.45) HPGDALDH1A1PSMB11PSMA7PSMB1
SCHEMBL1648472 0.72 KDM4E (0.45) KDM4EHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050433-A1 ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-03-07 WO disclosed