SCHEMBL11001068

SCHEMBL11001068

COC(=O)C(C)(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AHR P35869 2/20 0.43
PLCG1 P19174 1/20 0.43
SRC P12931 1/20 0.42
KCNN4 O15554 1/20 0.42
BLM P54132 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL504847 0.84 PLCG1 (0.51) SMN1; SMN2L3MBTL1AHRPLCG1SRC
SCHEMBL20166133 0.83 AHR (0.47) SMN1; SMN2L3MBTL1AHRPLCG1SRC
SCHEMBL9978324 0.83 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1AHRPLCG1SRC
SCHEMBL1027526 0.81 AHR (0.46) SMN1; SMN2L3MBTL1AHRPLCG1KCNN4
SCHEMBL28403522 0.81 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRPLCG1SRC
SCHEMBL1827357 0.80 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1AHRBLMCYP2D6
SCHEMBL10334728 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1AHRPLCG1SRC
Hydrochloric Acid SCHEMBL17102116 0.79 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1AHRBLMCYP2D6
SCHEMBL5700780 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRPLCG1SRC
SCHEMBL28535906 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1AHRPLCG1KCNN4

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
US-4535092-A Acylanilides having antiandrogenic activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-13 US disclosed
EP-0079191-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-18 EP disclosed