SCHEMBL28129251

SCHEMBL28129251

Cc1cc(N=Nc2ccccc2Br)ccc1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.76
▸ TDP1 Q9NUW8 4/20 0.76
▸ CYP3A4 P08684 3/20 0.76
▸ TSHR P16473 3/20 0.76
▸ TP53 P04637 2/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ MEN1 O00255 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ ALPL P05186 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ GLO1 Q04760 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL30777311 0.86 TDP1 (1.00) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL411207 0.86 TDP1 (1.00) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL411206 0.86 TDP1 (1.00) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL29405351 0.86 TDP1 (1.00) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL13338328 0.86 TDP1 (1.00) MAPK1TDP1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL7536593 0.85 TDP1 (0.97) MAPK1TDP1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL7536588 0.85 TDP1 (0.97) MAPK1TDP1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL30387748 0.85 TDP1 (0.97) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL11647594 0.82 TDP1 (0.71) MAPK1TDP1CYP3A4TSHRTP53
SCHEMBL2487414 0.82 TDP1 (0.71) MAPK1TDP1CYP3A4TSHRTP53

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
CN-105152963-B A kind of method using halogenated aromatic primary amine and aromatic amine reaction generation azobenzene compound 岭南师范学院 2017-12-15 — — CN disclosed
CN-105001664-B D-pi-A-type aminoazobenzene dye and preparation method therefor 岭南师范学院 2017-05-24 — — CN disclosed
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