SCHEMBL13219689

SCHEMBL13219689

O=[N+]([O-])c1c(Br)c(Br)c2nsnc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ TXNRD1 Q16881 3/20 0.38
▸ TXNRD3 Q86VQ6 3/20 0.38
▸ TXNRD2 Q9NNW7 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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 0.91 MAPT (0.42) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL5708807 0.90 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL12170150 0.86 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL18217202 0.82 MAPT (0.41) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL19456660 0.81 MAPT (0.36) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL6847622 0.78 TSHR (0.33) MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL3518192 0.71 ALDH1A1 (0.38) MAPTKMT2AHPGDALDH1A1TDP1
SCHEMBL5708742 0.71 TXNRD1 (0.53) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL5708726 0.71 KMT2A (0.47) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1
SCHEMBL14123560 0.70 MAPT (0.46) MAPTTXNRD1TXNRD3TXNRD2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100208413-A1 INTRINSICALLY CONDUCTIVE POLYMERS LUMIMOVE, INC., D/B/A CROSSLINK (US) 2010-08-19 — — US disclosed
US-20100208413-A1 INTRINSICALLY CONDUCTIVE POLYMERS LUMIMOVE, INC., D/B/A CROSSLINK (US) 2010-08-19 — — US disclosed
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