SCHEMBL11405207

SCHEMBL11405207

CC(=O)c1ccc(C=[N+]([O-])c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 8/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
NPC1 O15118 5/20 0.49
RAB9A P51151 3/20 0.49
G6PD P11413 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
FBP1 P09467 1/20 0.42
KMT2A Q03164 3/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL11405837 0.93 G6PD (0.57) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL17250800 0.86 ALDH1A1 (0.61) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL11406392 0.84 MAPT (0.59) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL11807434 0.83 TSHR (0.53) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL19875637 0.82 ALDH1A1 (0.80) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL9065427 0.81 AKR1C3 (0.61) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL14776736 0.80 MAPT (0.55) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL11414154 0.80 ALDH1A1 (0.53) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL14351456 0.80 NAPRT (0.53) MAPTALDH1A1ALOX15TSHRRECQL
SCHEMBL11402346 0.80 MAPT (0.56) MAPTALDH1A1ALOX15TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US claimed
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