SCHEMBL23586347

SCHEMBL23586347

CC1(C)C=CC=C(c2nc3cc4nc(C5=CC=CC(C)(C)C=C5)oc4cc3o2)C=C1

nearest known ligand 0.30

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL23586404 0.95 HSD17B10 (0.31) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL23586302 0.68 NPC1 (0.38) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23586344 0.66 NPC1 (0.33) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL22360026 0.62 ALOX5 (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22072005 0.61
SCHEMBL10424044 0.61 NPC1 (0.60) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL21972972 0.61 MEN1 (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24930963 0.60
SCHEMBL23544284 0.60
SCHEMBL20829148 0.59 CYP19A1 (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed