SCHEMBL9727286

SCHEMBL9727286

CCCCSc1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MGLL Q99685 2/20 0.39
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESPL1 Q14674 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL10706021 0.81 TSHR (0.42) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8973697 0.76 MAPT (0.54) MAPTMGLLBCL9CTNNB1NPC1
SCHEMBL6963075 0.75 HSD17B10 (0.42) MAPTALDH1A1LMNAACHEHSD17B10
SCHEMBL3281669 0.73 MAPT (0.44) MAPTMGLLBCL9CTNNB1NPC1
SCHEMBL9320304 0.72 CYSLTR2 (0.40) MAPTMGLLALDH1A1ESPL1KCNH2
SCHEMBL5694459 0.71 MAPT (0.53) MAPTMGLLNPC1RAB9AHDAC3
SCHEMBL5392051 0.71 MAPT (0.47) MAPTMGLLBCL9CTNNB1NPC1
SCHEMBL11132387 0.70 MAPT (0.51) MAPTMGLLNPC1RAB9AHDAC3
SCHEMBL6674869 0.70 TDP1 (0.47) MAPTALDH1A1HTTESPL1
SCHEMBL16954944 0.69 MAPT (0.44) MAPTMGLLBCL9CTNNB1ALDH1A1

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-5103006-A Calcium channel activator; inotropic agent E. R. SQUIBB & SONS, INC. (US) 1992-04-07 US disclosed