SCHEMBL9301636

SCHEMBL9301636

CC(=O)C(N)CCCNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.64
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.41
HCAR3 P49019 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9299778 0.91 KAT2B (0.64) KAT2BALDH1A1MAPTHCAR3
SCHEMBL9300684 0.91 KAT2B (0.64) KAT2BALDH1A1MAPTHCAR3
SCHEMBL9299748 0.87 KAT2B (0.62) KAT2BALDH1A1MAPTHCAR3
SCHEMBL9300180 0.84 KAT2B (0.65) KAT2BALDH1A1MAPT
SCHEMBL9300121 0.84 KAT2B (0.65) KAT2BALDH1A1MAPT
SCHEMBL9301798 0.83 KAT2B (0.60) KAT2BALDH1A1MAPTLMNAKMT2A
SCHEMBL9388618 0.81 KAT2B (0.61) KAT2BALDH1A1MAPT
SCHEMBL9300872 0.81 KAT2B (0.61) KAT2BALDH1A1MAPTHCAR3
SCHEMBL9391236 0.81 KAT2B (0.57) KAT2BALDH1A1MAPTHCAR3
SCHEMBL9301327 0.80 KAT2B (0.59) KAT2BALDH1A1MAPTHCAR3LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed