SCHEMBL11405191

SCHEMBL11405191

Cc1ccc(F)c(NO)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
NFE2L2 Q16236 1/20 0.41
HPGD P15428 1/20 0.39
GRM4 Q14833 1/20 0.39
KCNMA1 Q12791 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL11405183 0.84 MAP2K2 (0.43) LMNAKMT2AMEN1NFE2L2HPGD
SCHEMBL9228325 0.79 LMNA (0.44) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL25043218 0.79 LMNA (0.44) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL3650326 0.77 ALDH1A1 (0.42) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL30950200 0.77 ALDH1A1 (0.42) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL12811744 0.77 RAB9A (0.60) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL13446748 0.77 RAB9A (0.45) LMNAALDH1A1TSHRRAB9AMAPT
SCHEMBL3899333 0.76 CA3 (0.48) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10882869 0.76 GAA (0.55) LMNAALDH1A1TSHRRAB9AKMT2A
Hydrochloric Acid SCHEMBL4587796 0.76 ALDH1A1 (0.41) LMNAALDH1A1TSHRRAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed