SCHEMBL18262987

SCHEMBL18262987

COC(=O)c1cccc(Oc2ccc3[nH]c(C)c(C)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KIF11 P52732 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
SCHEMBL18263044 0.88 RAB9A (0.57) HCRTR1KMT2AMEN1RAB9ANPC1
SCHEMBL17444608 0.87 KDM4E (0.65) HCRTR1KMT2AMEN1RAB9ANPC1
SCHEMBL18941127 0.83 KMT2A (0.78) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL18941063 0.82 KMT2A (0.64) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL18941101 0.82 HCRTR1 (0.73) HCRTR1KMT2AMEN1RAB9ANPC1
SCHEMBL18941145 0.82 RAB9A (0.66) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL18941186 0.80 MAPT (0.72) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2436534 0.79 L3MBTL1 (0.65) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL18941144 0.79 KMT2A (0.59) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL17444599 0.79 HCRTR1 (0.54) HCRTR1KMT2AMEN1RAB9ANPC1

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
WO-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 — — WO disclosed
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