SCHEMBL6529217

SCHEMBL6529217

Cc1cc2nc(-c3ccc(NCc4ccc(N)cc4)cc3)[nH]c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.56
NT5E P21589 1/20 0.54
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
GLA P06280 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
RECQL P46063 3/20 0.50
GFER P55789 3/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 5/20 0.48
POLB P06746 4/20 0.48
HSD17B10 Q99714 3/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL6529214 0.85 HPSE (0.60) HPSEMEN1KMT2AALDH1A1KDM4E
SCHEMBL6325549 0.84 ALDH1A1 (0.68) HPSENT5EMEN1KMT2AALDH1A1
SCHEMBL6527955 0.81 NPC1 (0.69) HPSENT5EMEN1KMT2AALDH1A1
SCHEMBL5879596 0.78 NPBWR1 (0.58) HPSENT5EMEN1KMT2AALDH1A1
SCHEMBL24074249 0.76 HPSE (0.58) HPSEMEN1KMT2AALDH1A1KDM4E
SCHEMBL6482005 0.76 ALDH1A1 (0.64) HPSENT5EMEN1KMT2AALDH1A1
SCHEMBL6482012 0.76 ALDH1A1 (0.64) HPSENT5EMEN1KMT2AALDH1A1
SCHEMBL6533101 0.74 NPC1 (0.56) HPSEKMT2AALDH1A1KDM4EMAPT
SCHEMBL6529482 0.74 HPSE (0.59) HPSEKMT2AALDH1A1KDM4EMAPT
SCHEMBL15443951 0.74 MEN1 (0.79) HPSENT5EMEN1KMT2AALDH1A1

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-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed