SCHEMBL4787969

SCHEMBL4787969

CC(C)(CN)c1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ PKLR P30613 1/20 0.44
▸ GABRP O00591 2/20 0.44
▸ GABRD O14764 2/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB1 P18505 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ GABRA4 P48169 2/20 0.44
▸ GABRE P78334 2/20 0.44
▸ GABRA6 Q16445 2/20 0.44
▸ GABRG1 Q8N1C3 2/20 0.44
▸ GABRG3 Q99928 2/20 0.44

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
SCHEMBL1464705 0.84 NQO2 (0.49) NQO2MEN1KMT2APOLB
SCHEMBL30202225 0.80 LTA4H (0.41) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL3299928 0.79 KIF11 (0.52) NQO2PKMPKLRGABRPGABRD
SCHEMBL27659099 0.77 HTR1D (0.43) —
SCHEMBL4787965 0.76 NQO2 (0.56) NQO2MEN1KMT2APKMPKLR
SCHEMBL9664626 0.76 NQO2 (0.59) NQO2MEN1KMT2APKMPKLR
SCHEMBL22166260 0.76 HTR2C (0.53) MEN1KMT2A
SCHEMBL9268928 0.76 HTR2A (0.53) POLB
SCHEMBL3294986 0.74 NQO2 (0.64) NQO2MEN1KMT2APKMPKLR
SCHEMBL9854036 0.73 MTNR1A (0.63) MEN1KMT2A

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
WO-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 — — WO disclosed
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