SCHEMBL10929651

SCHEMBL10929651

S=c1c(CCl)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.47
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ AR P10275 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ DDR2 Q16832 1/20 0.44
▸ CALM1 P0DP23 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 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
SCHEMBL26661232 0.75 KDM4E (0.65) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL10929274 0.75 ABCG2 (0.49) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL2962849 0.73 KMT2A (0.53) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL28567447 0.71 ABCG2 (0.45) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL27906926 0.70 ADORA3 (0.73) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL2985205 0.69 PDE4B (0.48) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL28381233 0.69 KMT2A (0.49) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL31319016 0.68 ABCG2 (0.60) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL18079061 0.68 KMT2A (0.59) ADORA3KMT2AMEN1CYP3A4LMNA
SCHEMBL19846946 0.68 KMT2A (0.64) ADORA3KMT2AMEN1CYP3A4LMNA

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
JP-60023379-A — — None — — JP disclosed
JP-S6023379-A NOVEL METHYLTHIOFLAVONE COMPOUND SUBSTITUTED AT 3-POSITION AND ITS PREPARATION SHIN NIPPON YAKUHIN KK 1985-02-05 — — JP disclosed
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