SCHEMBL11390531

SCHEMBL11390531

O=C(O)c1ccc(NCCCc2ccccc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 5/20 0.62
▸ KDM8 Q8N371 5/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ RIOX2 Q8IUF8 3/20 0.62
▸ P4HTM Q9NXG6 5/20 0.58
▸ EGLN1 Q9GZT9 1/20 0.57
▸ KDM6B O15054 2/20 0.51
▸ KDM4C Q9H3R0 2/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL11398234 0.82 P4HTM (0.78) ASPHKDM8KDM4ERIOX2P4HTM
SCHEMBL22050225 0.81 P4HTM (0.58) KDM4EP4HTMKDM6BKDM4CKMT2A
SCHEMBL13954312 0.77 P4HTM (0.61) KDM4EP4HTMKDM6BKDM4CKMT2A
SCHEMBL11258302 0.77 NPC1 (0.55) ASPHKDM8KDM4EKDM6BKDM4C
SCHEMBL26049197 0.75 P4HTM (0.62) KDM4EP4HTMALDH1A1L3MBTL1
SCHEMBL25745959 0.74 NAMPT (0.68) KDM4ENAMPTHIF1AALDH1A1CYP1A2
SCHEMBL11396052 0.74 P4HTM (1.00) ASPHKDM8KDM4ERIOX2P4HTM
SCHEMBL30112058 0.73 P4HTM (0.60) KDM4EP4HTMKMT2AHIF1AMEN1
SCHEMBL18405340 0.73 P4HTM (0.60) KDM4EP4HTMKMT2AHIF1AMEN1
SCHEMBL797424 0.73 P4HTM (0.60) KDM4EP4HTMALDH1A1L3MBTL1

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
US-4273779-A Treating hypertension with substituted-5-amino-2-pyridinecarboxylic acids CIBA-GEIGY CORPORATION (US) 1981-06-16 — — US disclosed
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