SCHEMBL14291193

SCHEMBL14291193

Oc1ccccc1CNCC(Cc1ccccc1)NCc1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ PKM P14618 1/20 0.57
▸ MPO P05164 6/20 0.54
▸ TSHR P16473 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CA12 O43570 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ CA9 Q16790 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SLC6A4 P31645 1/20 0.44
▸ ATM Q13315 1/20 0.42

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
SCHEMBL13060284 0.89 POLB (0.48) POLBMAPK1PKMMPOTSHR
SCHEMBL11977390 0.84 MAPK1 (0.63) POLBMAPK1PKMMPOTSHR
SCHEMBL13003576 0.83 ITGA4 (0.47) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL29816787 0.80 HIF1A (0.41) POLBMAPK1PKMMPOTSHR
SCHEMBL6435315 0.75 PKM (0.96) POLBMAPK1PKMMPOTSHR
SCHEMBL7744629 0.74 POLB (0.62) POLBMAPK1PKMMPOTSHR
SCHEMBL6234672 0.74 POLB (0.61) POLBMAPK1PKMMPOTSHR
SCHEMBL11574253 0.73 TSHR (0.69) PKMMPOTSHRCYP2D6HIF1A
SCHEMBL27537010 0.73 TSHR (0.69) PKMMPOTSHRCYP2D6HIF1A
SCHEMBL21417821 0.73 POLB (0.60) POLBMAPK1PKMMPOTSHR

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
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 — — US disclosed
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 — — US disclosed
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