Metamizole

Metamizole

SCHEMBL17331306

Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.N.O=C(O)/C=C\C(=O)O.[Na+]

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Metamizole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.67
▸ ALOX15 P16050 2/20 0.83
▸ KDM4E B2RXH2 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ ALOX12 P18054 1/20 0.83
▸ THRB P10828 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.50
▸ POLB P06746 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ BCHE P06276 4/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DPP4 P27487 1/20 0.43

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
Metamizole SCHEMBL1825291 0.92 ALOX15 (0.97) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL24996 0.91 ALOX15 (1.00) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL24995 0.90 ALOX15 (0.97) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL28278546 0.89 ALOX15 (0.95) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL934309 0.84 ALOX15 (0.77) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL24997 0.81 PTGS1 (1.00) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL27598082 0.79 PTGS1 (0.97) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL27828487 0.79 PTGS1 (0.97) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL867884 0.79 PTGS1 (0.97) ALOX15KDM4EMAPTALOX12PTGS1
Metamizole SCHEMBL867882 0.78 PTGS1 (0.95) ALOX15KDM4EMAPTALOX12PTGS1

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-20150359739-A1 EDIBLE FILM-STRIPS FOR IMMEDIATE RELEASE OF ACTIVE INGREDIENTS JOHNSON & JOHNSON CONSUMER INC (US) 2015-12-17 — — US disclosed
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