SCHEMBL24375889

SCHEMBL24375889

COC(=O)c1nc(C(C)(C)C)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.38
NR4A2 P43354 3/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAP2K1 Q02750 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CREBBP Q92793 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAF1 P04049 1/20 0.33
AXL P30530 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33

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
SCHEMBL21840508 0.81 ALDH1A1 (0.43) HSD17B10MAPTKMT2AALDH1A1GAA
SCHEMBL12332375 0.79 GRN (0.38) KMT2AALDH1A1LMNAKDM4E
SCHEMBL162657 0.76 NPSR1 (0.41) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL6100678 0.76 MAPK1 (0.43) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL28168679 0.76 KDM4E (0.44) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL10067534 0.75 ALDH1A1 (0.38) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL31478620 0.74 F2 (0.40) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL3706189 0.73 KDM4E (0.42) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL6975840 0.71 NPSR1 (0.38) F2HSD17B10MAPTKMT2ANPSR1
SCHEMBL29951090 0.71 ALDH1A1 (0.38) F2HSD17B10MAPTKMT2ANPSR1

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
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed