SCHEMBL7975698

SCHEMBL7975698

Cc1ccc(NNC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 5/20 0.49
TDP1 Q9NUW8 2/20 0.48
GFER P55789 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CISD2 Q8N5K1 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8297312 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ACISD2HPGD
SCHEMBL18254450 0.85 CYP17A1 (0.46) SMN1; SMN2GAATDP1GFERMEN1
SCHEMBL6233789 0.85 GAA (0.54) SMN1; SMN2GAATDP1MEN1KMT2A
SCHEMBL15600352 0.84 RXFP1 (0.47) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL17149602 0.81 GAA (0.40) SMN1; SMN2GAATDP1GFERMEN1
SCHEMBL6852142 0.81 GAA (0.61) GAATDP1MEN1KMT2AHPGD
SCHEMBL9850862 0.78 GAA (0.65) SMN1; SMN2GAATDP1GFERMEN1
SCHEMBL14518047 0.77 GAA (0.50) SMN1; SMN2GAATDP1MEN1KMT2A
SCHEMBL15151474 0.76 GAA (0.44) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL2770751 0.76 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACISD2HPGD

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
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed