SCHEMBL9484185

SCHEMBL9484185

O=[N+]([O-])c1cccc(C2=CCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
IDO1 P14902 1/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 1/20 0.46
SLC6A4 P31645 1/20 0.46
PGR P06401 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45

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
SCHEMBL9084505 0.88 LMNA (0.50) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL6099487 0.87 TSHR (0.48) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL31518345 0.87 TSHR (0.48) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL29525981 0.82 TSHR (0.47) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4789895 0.81 HTR2C (0.57) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL22832713 0.81 MAPK14 (0.50) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL6738366 0.80 TSHR (0.76) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL27569483 0.79 TSHR (0.61) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9122080 0.79 APP (0.50) LMNAMAPTALDH1A1ACHETDP1
SCHEMBL31398127 0.79 SLC6A4 (0.55) TSHRMAPTNPC1RAB9AACHE

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-5210339-A Nitrating agent, anhydride, clay, solvent THE DOW CHEMICAL COMPANY (US) 1993-05-11 US disclosed