SCHEMBL7795169

SCHEMBL7795169

COc1ccc2nc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
HPGD P15428 4/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HTT P42858 1/20 0.49
SLC2A1 P11166 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7795164 0.92 MEN1 (0.45) TP53HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL7786850 0.88 NPC1 (0.53) TP53HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL7796798 0.88 RARB (0.47) TP53HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL7786885 0.86 CHEK1 (0.50) TP53HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL9286338 0.82 SMN1; SMN2 (0.47) TP53HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL7786884 0.81 RARA (0.49) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL8321300 0.81 RARA (0.64) TP53HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL7792898 0.80 PDE4A (0.53) TP53HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL7796793 0.80 RARB (0.47) TP53HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL7786848 0.80 LMNA (0.50) TP53HPGDNPC1ALDH1A1SMN1; SMN2

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