SCHEMBL8425714

SCHEMBL8425714

O=C(c1ccc(-c2ccccn2)nc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.60
▸ TSHR P16473 2/20 0.58
▸ P4HTM Q9NXG6 2/20 0.55
▸ CFTR P13569 1/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ OXTR P30559 2/20 0.52
▸ AVPR1A P37288 2/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ GAA P10253 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 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
SCHEMBL7961749 0.96 HPGDS (0.56) HPGDSTSHRP4HTMCFTRHDAC3
SCHEMBL7952466 0.92 HPGDS (0.52) HPGDSTSHRP4HTMCFTRHDAC3
SCHEMBL8429920 0.89 HPGDS (0.49) HPGDSTSHRP4HTMCFTRHDAC3
SCHEMBL8359492 0.78 KMT2A (0.76) TSHRCFTRHDAC3HDAC1HDAC7
SCHEMBL1003508 0.78 HDAC1 (0.71) TSHRCFTRHDAC3HDAC1HDAC7
SCHEMBL687378 0.77 P4HTM (0.74) HPGDSP4HTMGAAL3MBTL1
SCHEMBL29913684 0.77 P4HTM (0.74) HPGDSP4HTMGAAL3MBTL1
SCHEMBL29488117 0.76 P4HTM (0.71) HPGDSP4HTMGAAL3MBTL1
Hydrochloric Acid SCHEMBL29488111 0.76 P4HTM (0.71) HPGDSP4HTMGAAL3MBTL1
SCHEMBL6843722 0.75 ALDH1A1 (0.68) TSHRCFTRHDAC3HDAC1HDAC7

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-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 — — US disclosed
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