SCHEMBL5267615

SCHEMBL5267615

CC(C)[N+]([O-])=Cc1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
JAK2 O60674 1/20 0.46
MITF O75030 1/20 0.46
CYP2C9 P11712 1/20 0.46
NTSR1 P30989 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2A6 P11509 1/20 0.45
CYP2A13 Q16696 1/20 0.45
ALOX15 P16050 3/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 2/20 0.44

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
SCHEMBL9891035 0.85 NPC1 (0.41) ALDH1A1MAPTHSD17B10TSHRALOX15
SCHEMBL30128857 0.78 FBP1 (0.44) ALDH1A1MAPTSMN1; SMN2HSD17B10CYP3A4
SCHEMBL14993281 0.76 EGFR (0.42) ALDH1A1MAPTNPC1RAB9AAPP
SCHEMBL30128697 0.76 TYR (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6776338 0.76 APP (0.37) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14993280 0.76 EGFR (0.42) ALDH1A1MAPTNPC1RAB9AAPP
SCHEMBL13924679 0.75 NPC1 (0.45) ALDH1A1MAPTTSHRALOX15NPC1
SCHEMBL30128650 0.73 FBP1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL13232951 0.72 CA12 (0.55) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL13232789 0.70 FBP1 (0.50) ALDH1A1MAPTSMN1; SMN2TSHRKMT2A

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
EP-1739098-A2 Functionalization of living rubbery polymers with nitrones The Goodyear Tire & Rubber Company (US) 2007-01-03 EP disclosed