SCHEMBL11098513

SCHEMBL11098513

O=C(O)[C@@H]1C[C@H]1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
GSR P00390 1/20 0.42

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
SCHEMBL11098511 1.00 KMT2A (0.48) KMT2ALMNAFFAR1NPC1MAPT
SCHEMBL6780957 0.86 GPR35 (0.51) KMT2AFFAR1NPC1MAPTALDH1A1
SCHEMBL6780953 0.86 GPR35 (0.51) KMT2AFFAR1NPC1MAPTALDH1A1
SCHEMBL1818855 0.82 MAPT (0.41) KMT2ALMNAMAPTALDH1A1CYP3A4
SCHEMBL1818853 0.82 MAPT (0.41) KMT2ALMNAMAPTALDH1A1CYP3A4
SCHEMBL1818854 0.82 MAPT (0.41) KMT2ALMNAMAPTALDH1A1CYP3A4
SCHEMBL29302342 0.79 MAPK1 (0.46) KMT2ALMNAFFAR1MAPTALDH1A1
SCHEMBL29136832 0.79 MAPK1 (0.46) KMT2ALMNAFFAR1MAPTALDH1A1
SCHEMBL29302352 0.76 SLC9A1 (0.42) KMT2ALMNAFFAR1MAPTALDH1A1
SCHEMBL11126705 0.76 ALDH1A1 (0.46) KMT2ALMNANPC1MAPTALDH1A1

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
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 US disclosed
US-4331683-A SENSITIZATION, ANTIALLERGENS PFIZER INC. (US) 1982-05-25 US disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 EP disclosed