SCHEMBL6263727

SCHEMBL6263727

CCOc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4[nH]3)cc2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 14/20 0.74
▸ MAPT P10636 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ PKM P14618 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL6247253 0.91 HPSE (0.72) HPSEMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6264465 0.88 HPSE (0.72) HPSEMAPTSMN1; SMN2HTTKDM4E
SCHEMBL6244234 0.85 HPSE (1.00) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6243599 0.81 SMN1; SMN2 (0.60) HPSEMAPTSMN1; SMN2PKMPOLB
SCHEMBL6262306 0.79 PKM (0.73) HPSESMN1; SMN2PKMNPC1
SCHEMBL6248635 0.78 HPSE (1.00) HPSEMAPTSMN1; SMN2RECQLBLM
SCHEMBL6243465 0.78 MAPT (0.77) HPSEMAPTSMN1; SMN2HTTKDM4E
SCHEMBL6263153 0.76 HPSE (1.00) HPSEMAPTMEN1KMT2ARECQL
SCHEMBL6264637 0.76 HPSE (1.00) HPSEMAPTSMN1; SMN2HTTKDM4E
SCHEMBL6280418 0.76 HPSE (0.78) HPSEMAPTSMN1; SMN2KDM4EMEN1

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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