SCHEMBL19366233

SCHEMBL19366233

C[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
CUL4A Q13619 1/20 0.42
TDP1 Q9NUW8 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MAOA P21397 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
ABCC4 O15439 1/20 0.40
PLIN1 O60240 1/20 0.40
CACNA1F O60840 1/20 0.40
GMNN O75496 1/20 0.40
KCNK2 O95069 1/20 0.40

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
SCHEMBL30504112 0.73 MAOA (0.41) KMT2AMAOAMAOBMEN1LMNA
SCHEMBL9100356 0.72 TDP1 (0.43) HSD17B10CUL4ATDP1ALDH1A1KDM4E
SCHEMBL9100348 0.72 TDP1 (0.43) HSD17B10CUL4ATDP1ALDH1A1KDM4E
SCHEMBL12694394 0.72 GAA (0.46) HSD17B10TDP1ALDH1A1KDM4EMAPT
SCHEMBL16796701 0.72 DNMT3B (0.40) HSD17B10CUL4ATDP1ALDH1A1KDM4E
SCHEMBL19366234 0.71 SLC6A2 (0.39) HSD17B10TDP1ALDH1A1KMT2AMAOA
SCHEMBL30335476 0.70 NR4A1 (0.44) CUL4ATDP1ALDH1A1KDM4EMAPT
SCHEMBL19366232 0.69 HDAC4 (0.50) KDM4EKMT2AMAOAMAOBMEN1
SCHEMBL11451918 0.69 GPR35 (0.50) HSD17B10CUL4ATDP1ALDH1A1KDM4E
SCHEMBL11451916 0.69 GPR35 (0.50) HSD17B10CUL4ATDP1ALDH1A1KDM4E

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed