SCHEMBL19456660

SCHEMBL19456660

O=[N+]([O-])c1c([N+](=O)[O-])c(Br)c2nsnc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.34
▸ TXNRD1 Q16881 2/20 0.34
▸ TXNRD3 Q86VQ6 2/20 0.34
▸ TXNRD2 Q9NNW7 2/20 0.34
▸ PMM2 O15305 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2418995 0.89 MAPT (0.42) MAPTTSHRTXNRD1TXNRD3TXNRD2
SCHEMBL6847622 0.85 TSHR (0.33) MAPTTSHRTXNRD1TXNRD3TXNRD2
SCHEMBL13219689 0.81 MAPT (0.40) MAPTTXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL5708807 0.79 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL5708847 0.79 TSHR (0.42) MAPTTSHRTXNRD1TXNRD3TXNRD2
SCHEMBL12170150 0.79 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL18217202 0.76 MAPT (0.41) MAPTTXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL19456668 0.66 TSHR (0.39) MAPTTSHRALDH1A1
SCHEMBL5708797 0.66 ALDH1A1 (0.48) MAPTTSHRTXNRD1TXNRD3TXNRD2
SCHEMBL5708726 0.66 KMT2A (0.47) MAPTTSHRTXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711138-B2 Intermediates and procedures for the synthesis of functional materials MERCK PATENT GMBH (DE) 2020-07-14 — — US disclosed
US-20190127586-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2019-05-02 — — US disclosed
WO-2017174619-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2017-10-12 — — WO disclosed
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