SCHEMBL7091213

SCHEMBL7091213

O=C(Cc1cccs1)N/C=C(\c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.44
POLB P06746 6/20 0.44
ESR1 P03372 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BLM P54132 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL7091215 1.00 RAB9A (0.49) RAB9AHPGDALDH1A1KDM4ELMNA
SCHEMBL15285027 0.74 HPGD (0.60) RAB9AHPGDALDH1A1KDM4EPKM
SCHEMBL7090110 0.74 NPC1 (0.46) RAB9AHPGDALDH1A1KDM4ELMNA
SCHEMBL7090105 0.74 NPC1 (0.46) RAB9AHPGDALDH1A1KDM4ELMNA
SCHEMBL7093379 0.73 NPSR1 (0.43) RAB9AHPGDALDH1A1KDM4EMEN1
SCHEMBL7093380 0.73 NPSR1 (0.43) RAB9AHPGDALDH1A1KDM4EMEN1
SCHEMBL7663081 0.72 RAB9A (0.52) RAB9AHPGDALDH1A1KDM4ELMNA
SCHEMBL7092976 0.70 ALDH1A1 (0.42) RAB9AHPGDALDH1A1LMNAMEN1
SCHEMBL7092979 0.70 ALDH1A1 (0.42) RAB9AHPGDALDH1A1LMNAMEN1
SCHEMBL7663073 0.69 HPGD (0.52) RAB9AHPGDALDH1A1KDM4ELMNA

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
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed