SCHEMBL14979009

SCHEMBL14979009

NCCCNc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.55
MAPT P10636 3/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HTR6 P50406 1/20 0.50
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.45
STK17A Q9UEE5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALDH3A1 P30838 1/20 0.42

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
SCHEMBL6440712 0.91 MAPT (0.60) KAT2BMAPTGLAGAAHTR6
SCHEMBL29578827 0.84 HCAR3 (0.48) KAT2BMAPTGLAGAAHTR6
SCHEMBL9618354 0.84 HCAR3 (0.48) KAT2BMAPTGLAGAAHTR6
SCHEMBL29353354 0.84 TDP1 (0.47) KAT2BMAPTGLAGAAHTR6
SCHEMBL28673730 0.84 TDP1 (0.47) KAT2BMAPTGLAGAAHTR6
SCHEMBL8723933 0.83 TSHR (0.50) MAPTGLAGAAHTR6TSHR
SCHEMBL25191394 0.81 POLB (0.57) KAT2BGLAHTR6TSHRPOLB
SCHEMBL11887638 0.81 MAPT (0.55) MAPTGLAGAAHTR6TSHR
SCHEMBL15221111 0.80 MAPT (0.54) MAPTGLAGAAHTR6TSHR
SCHEMBL12289538 0.79 MAPT (0.66) MAPTGLAGAAHTR6TSHR

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-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed