SCHEMBL11261538

SCHEMBL11261538

N#CC(Cl)(c1ccc([N+](=O)[O-])cc1)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP19A1 P11511 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C19 P33261 1/20 0.35
COMT P21964 1/20 0.34

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
SCHEMBL11264781 0.79 CYP19A1 (0.44) ALDH1A1CYP19A1KMT2AMEN1CYP2C19
SCHEMBL11268013 0.76 CYP19A1 (0.39) POLBRAB9AMAPTALDH1A1CYP19A1
SCHEMBL4797038 0.74 CYP1A2 (0.46) POLBRAB9AMAPTALDH1A1KMT2A
SCHEMBL10419886 0.73 HSPB1 (0.49) POLBRAB9AMAPTALDH1A1KMT2A
SCHEMBL10420766 0.73 ACHE (0.58) POLBRAB9AMAPTALDH1A1KMT2A
SCHEMBL11141195 0.68 MAPT (0.45) RAB9AMAPTALDH1A1CYP19A1KMT2A
SCHEMBL11766003 0.68 ALDH1A1 (0.49) POLBMAPTALDH1A1CYP19A1KMT2A
SCHEMBL9455477 0.67 MAPT (0.45) RAB9AMAPTALDH1A1CYP19A1KMT2A
SCHEMBL11807485 0.66 CYP2C19 (0.56) RAB9AMAPTALDH1A1KMT2AMEN1
SCHEMBL11249250 0.65 KDM4E (0.39) POLBRAB9AMAPTALDH1A1CYP19A1

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-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 US disclosed