SCHEMBL11865337

SCHEMBL11865337

CC(C)Nc1cccc(Br)[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL11863367 0.77 TDP1 (0.34) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL11859367 0.77 IDO1 (0.33) HSD17B10
SCHEMBL11863929 0.70 L3MBTL1 (0.33) L3MBTL1
SCHEMBL11860764 0.67 CYP1A2 (0.38) ALDH1A1LMNARECQL
SCHEMBL943724 0.66
SCHEMBL16917046 0.64 TDP1 (0.41) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL5865099 0.61 GABRA1 (0.38) GABRA1
SCHEMBL11865588 0.60 HPGD (0.33) TDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL29962993 0.59 HDAC8 (0.30)
SCHEMBL5944750 0.58 IDO1 (0.38) TDP1ALDH1A1LMNACYP3A4THRB

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-3948910-A Aminohalopyridine-N-oxides THE DOW CHEMICAL COMPANY (US) 1976-04-06 US disclosed