SCHEMBL8921703

SCHEMBL8921703

COCCc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8601231 0.79 L3MBTL1 (0.35) MAPTALDH1A1POLBLMNAHTT
SCHEMBL8563633 0.78 MAPT (0.37) MAPTALDH1A1POLBHTTNPC1
SCHEMBL8564427 0.76 ALDH1A1 (0.38) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL8566844 0.74 MEN1 (0.40) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL8598691 0.72 IMPDH2 (0.32) MAPTALDH1A1POLBTDP1
SCHEMBL8565117 0.72 MAPT (0.39) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL8567652 0.71 HTT (0.42) MAPTALDH1A1POLBLMNAHTT
SCHEMBL8564450 0.70 MAPT (0.41) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL8560215 0.70 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL8564571 0.69 MAPT (0.43) MAPTALDH1A1LMNAHTTRAB9A

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-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed