SCHEMBL7786850

SCHEMBL7786850

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
HPGD P15428 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.53
PKM P14618 3/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL7786848 0.92 LMNA (0.50) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6535403 0.89 ALOX5 (0.64) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7795169 0.88 TP53 (0.52) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7786884 0.88 RARA (0.49) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL7792898 0.87 PDE4A (0.53) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7786900 0.87 PDE4A (0.53) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3807977 0.85 RARA (0.67) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6535398 0.83 ALOX5 (0.52) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL7786953 0.83 AMY1A (0.50) NPC1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7786877 0.82 RARA (0.49) HPGDMEN1KMT2AALDH1A1LMNA

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