SCHEMBL7795164

SCHEMBL7795164

COc1ccc2[nH]c(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 4/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RARB P10826 3/20 0.45
RARA P10276 3/20 0.45
HSD17B10 Q99714 2/20 0.45
RARG P13631 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
IKBKB O14920 2/20 0.45
NPC1 O15118 4/20 0.42
PKM P14618 3/20 0.42
RAB9A P51151 3/20 0.42

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
SCHEMBL7795169 0.92 TP53 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7786848 0.88 LMNA (0.50) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7796793 0.88 RARB (0.47) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7047540 0.87 RARB (0.50) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7786883 0.86 RARB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL9286338 0.82 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7052839 0.81 RARG (0.64) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL7786877 0.81 RARA (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6571495 0.81 RARA (0.54) MEN1KMT2ARARBRARARARG
SCHEMBL7792893 0.80 PDE4A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP claimed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US claimed
EP-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP disclosed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US disclosed