SCHEMBL6530461

SCHEMBL6530461

O=C(O)c1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HPGD P15428 5/20 0.70
ALDH1A1 P00352 4/20 0.70
KMT2A Q03164 3/20 0.70
HPSE Q9Y251 3/20 0.62
MMP2 P08253 4/20 0.60
MMP13 P45452 4/20 0.60
MMP9 P14780 3/20 0.60
MMP8 P22894 3/20 0.60
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL6527951 0.90 HPSE (0.61) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL6529482 0.89 HPSE (0.59) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL6514739 0.88 MMP2 (0.80) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL16148287 0.88 KDM4E (0.64) KDM4EHPGDALDH1A1KMT2AMMP2
SCHEMBL16147869 0.88 KDM4E (0.63) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL6506624 0.86 HPSE (0.68) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL1664216 0.85 KDM4E (0.97) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL6532368 0.84 HDAC3 (0.64) KDM4EALDH1A1KMT2AHPSEMMP2
SCHEMBL6506903 0.84 HPSE (0.72) KDM4EHPGDALDH1A1KMT2AHPSE
SCHEMBL6511104 0.84 HPSE (0.72) KDM4EHPGDALDH1A1KMT2AHPSE

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