SCHEMBL10895693

SCHEMBL10895693

COC(=O)C1CSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL10896122 0.83 TSHR (0.45) KMT2AMEN1ALDH1A1GAA
SCHEMBL5141716 0.80 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL14916471 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1GAANPC1
SCHEMBL10898658 0.78 KDM4E (0.39) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL14113763 0.74 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL7759384 0.73 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL6641681 0.71 KMT2A (0.44) KMT2AMEN1ALDH1A1NPC1
SCHEMBL7384066 0.71 KMT2A (0.51) KMT2AMEN1TDP1NPC1POLB
SCHEMBL3136218 0.70 P2RX7 (0.46) KMT2AMEN1ALDH1A1POLB
SCHEMBL20921329 0.69 ATM (0.42) KMT2AMEN1ALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117675-B1 BENZOFURAN AND BENZOTHIOPHENE-CARBOXYLIC-ACID DERIVATIVES BEECHAM GROUP PLC (GB) 1986-07-23 EP disclosed
US-4548948-A Anti-inflammatory and analgesic benzothiophene and benzafuran derivatives, compositions, and method of use therefor BEECHAM GROUP P.L.C. (GB) 1985-10-22 US disclosed
EP-0117675-A1 Benzofuran and benzothiophene-carboxylic-acid derivatives BEECHAM GROUP PLC (GB) 1984-09-05 EP disclosed