SCHEMBL27985273

SCHEMBL27985273

[CH2]c1cccc(/C=C/N(C)C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 3/20 0.40
MMP14 P50281 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
ERN1 O75460 1/20 0.33
PRMT1 Q99873 1/20 0.32
RXRA P19793 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GFER P55789 1/20 0.32
STAT3 P40763 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL7298528 0.84 TSHR (0.50) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL11006035 0.84 TSHR (0.50) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL11836225 0.84 ALDH1A1 (0.56) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL11836212 0.84 ALDH1A1 (0.56) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL13602996 0.83 MAPT (0.46) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL3941257 0.83 MAPT (0.39) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL2625725 0.83 MAPT (0.39) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL14609881 0.83 MAPT (0.39) MAPTALDH1A1RAB9AHTTGAA
SCHEMBL7408714 0.81 PRMT1 (0.49) MAPTALDH1A1RAB9AGAAMMP14
SCHEMBL7408707 0.81 PRMT1 (0.49) MAPTALDH1A1RAB9AGAAMMP14

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
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed