SCHEMBL10540979

SCHEMBL10540979

COc1ccc(C)cc1NC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 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
SCHEMBL10539974 0.88 MAPT (0.56) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL10755457 0.87 KMT2A (0.69) L3MBTL1KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL10538812 0.87 KMT2A (0.51) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL10537855 0.87 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10541780 0.86 CYP2D6 (0.54) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL10541801 0.86 KMT2A (0.50) TSHRKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL10542169 0.86 KMT2A (0.68) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL10754148 0.84 KMT2A (0.56) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL10542188 0.84 PYGL (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10542205 0.84 POLB (0.60) KMT2AMAPTALDH1A1

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-0235878-A2 Novel compounds BEECHAM GROUP PLC (GB) 1987-09-09 EP claimed
US-4797387-A ANALGESICS, ANTIEMETICS BEECHAM GROUP, P.L.C. (GB) 1989-01-10 US disclosed
EP-0235878-A2 Novel compounds BEECHAM GROUP PLC (GB) 1987-09-09 EP disclosed