SCHEMBL8219447

SCHEMBL8219447

O=C(I)Cc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.55
DDX3X O00571 1/20 0.54
AKR1C3 P42330 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 2/20 0.49
KLF5 Q13887 1/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
PDE10A Q9Y233 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 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
SCHEMBL3771108 0.88 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL13058943 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL19004867 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL13002099 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL26299109 0.82 MEN1 (0.69) MEN1KMT2AALDH1A1DDX3XAKR1C3
SCHEMBL3759049 0.81 ITGB3 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL8224155 0.80 HPSE (0.46) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL13058857 0.80 NPC1 (0.57) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL3221507 0.79 MEN1 (0.70) MEN1KMT2AALDH1A1DDX3XAKR1C3
Hydrochloric Acid SCHEMBL5028019 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1DDX3XAKR1C3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013032527-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
WO-2012031228-A2 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 WO disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO disclosed