SCHEMBL8055826

SCHEMBL8055826

O=C1C=C(Br)C(=O)N1c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.60
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GFER P55789 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ ALOX12 P18054 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ RGS4 P49798 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ MAPT P10636 2/20 0.37

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
SCHEMBL1163961 0.84 MGLL (0.50) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL8468306 0.83 HSP90AA1 (0.58) HSP90AA1MEN1KMT2AGFERALDH1A1
SCHEMBL8467109 0.81 HSP90AA1 (0.60) HSP90AA1MEN1KMT2AGFERALDH1A1
SCHEMBL571682 0.75 HSP90AA1 (1.00) HSP90AA1MEN1KMT2AGFERALDH1A1
SCHEMBL9326699 0.75 MEN1 (0.66) HSP90AA1MEN1KMT2AGFERALDH1A1
SCHEMBL2132967 0.74 KMT2A (0.68) HSP90AA1MEN1KMT2AGFERALDH1A1
SCHEMBL18919417 0.74 MGLL (0.53) HSP90AA1MEN1KMT2ATDP1MAPK1
SCHEMBL20760615 0.74 MGLL (0.53) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL9725345 0.74 FAAH (0.39) MEN1KMT2AGFERALDH1A1HSD17B10
SCHEMBL7830939 0.74 MGLL (0.53) HSP90AA1MEN1KMT2AALDH1A1MAPT

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
EP-1000117-A1 RUBBER COMPOSITION FOR COLOUR TYRE Compagnie Générale des Etablissements MICHELIN-MICHELIN & CIE (FR) 2000-05-17 — — EP disclosed
WO-1999006480-A1 RUBBER COMPOSITION FOR COLOUR TYRE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN-MICHELIN & CIE. (FR) 1999-02-11 — — WO disclosed
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