SCHEMBL9587192

SCHEMBL9587192

CC(C)(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.41
MAPT P10636 9/20 0.39
SCN2A Q99250 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDC7 O00311 1/20 0.36
GAA P10253 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
SCHEMBL9585420 0.83 GAA (0.45) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9585989 0.79 SIRT6 (0.52) MAPTSIRT6MEN1KMT2ALMNA
SCHEMBL9587645 0.78 CYP1A2 (0.39) MEN1KMT2AHTTCYP1A2CYP2C9
SCHEMBL11809372 0.65 SCN2A (0.39) KAT2BMAPTSCN2ASIRT6MEN1
SCHEMBL397351 0.64 HSD17B10 (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL3750773 0.63 HTT (0.51) MAPTSIRT6MEN1KMT2ALMNA
SCHEMBL12445323 0.63 MAPT (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9187712 0.62 GSK3A (0.56) KAT2BMAPTSCN2ASIRT6MEN1
SCHEMBL22567 0.62 ALDH1A1 (0.72) MEN1KMT2ALMNAALDH1A1ACHE
SCHEMBL27909482 0.62 ALDH1A1 (0.72) MEN1KMT2ALMNAALDH1A1ACHE

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-5221750-A Chemical intermediate for positive working compound in silver halide emulsion photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-22 US disclosed