SCHEMBL11804530

SCHEMBL11804530

CCOc1cc(OCC)c([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 10/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11799473 0.80 MAPT (0.43) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL7011056 0.80 NPC1 (0.67) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL10779236 0.79 ALDH1A1 (0.58) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL26647353 0.79 NPC1 (0.40) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL5582814 0.79 NPC1 (0.43) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL5582989 0.79 S1PR4 (0.41) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL11835695 0.76 MAPT (0.53) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL26646867 0.76 TSHR (0.47) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10702301 0.75 MAPT (0.51) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL9694476 0.74 GRIN2D (0.46) MAPTLMNAHPGDALDH1A1SMN1; SMN2

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-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 US disclosed