SCHEMBL6266518

SCHEMBL6266518

CCOc1ccc(C(=O)Nc2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 11/20 1.00
▸ MAPT P10636 8/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TP53 P04637 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6264637 0.87 HPSE (1.00) HPSEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6258786 0.87 HPSE (0.77) HPSEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6264780 0.83 HPSE (1.00) HPSEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6263153 0.81 HPSE (1.00) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6244234 0.80 HPSE (1.00) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6246583 0.79 HPSE (0.82) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6265376 0.79 HPSE (0.82) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6264465 0.78 HPSE (0.72) HPSEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6245492 0.78 HPSE (0.77) HPSEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6245267 0.75 MAPT (0.76) HPSEMAPTMEN1KMT2ASMN1; SMN2

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
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 — — WO disclosed
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