SCHEMBL6264476

SCHEMBL6264476

Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.77
MMP9 P14780 4/20 0.77
MMP8 P22894 4/20 0.77
MMP13 P45452 4/20 0.77
SMN1; SMN2 Q16637 9/20 0.61
ALDH1A1 P00352 9/20 0.61
MAPT P10636 9/20 0.61
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
HPGD P15428 8/20 0.61
KDM4E B2RXH2 7/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
HSD17B10 Q99714 6/20 0.61
GAA P10253 6/20 0.61
POLB P06746 5/20 0.61
GFER P55789 4/20 0.61
GLA P06280 4/20 0.61
TP53 P04637 4/20 0.61
RXFP1 Q9HBX9 2/20 0.61

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
SCHEMBL6260769 0.87 MMP2 (1.00) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL9862039 0.86 ALDH1A1 (0.69) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL28312335 0.86 ALDH1A1 (0.74) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL159873 0.86 ALDH1A1 (0.74) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL30307784 0.86 ALDH1A1 (0.74) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL1655753 0.84 MEN1 (0.73) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL30533210 0.84 MEN1 (0.73) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL7652407 0.84 MMP13 (0.56) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL3337505 0.84 ALDH1A1 (0.55) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL27236921 0.84 MMP2 (0.55) MMP2MMP9MMP8MMP13MAPT

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