SCHEMBL14579478

SCHEMBL14579478

CC(=O)NCCc1ccc(N=C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ F13A1 P00488 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ P2RY6 Q15077 2/20 0.58
▸ ACACB O00763 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL7686611 0.84 KMT2A (0.53) KDM4ESMN1; SMN2P2RY6ALDH1A1MAPT
SCHEMBL10592850 0.81 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ACACBALDH1A1
SCHEMBL10532412 0.81 P2RY6 (0.53) SMN1; SMN2P2RY6ALDH1A1HSD17B10
SCHEMBL8773091 0.80 CA2 (0.49) SMN1; SMN2P2RY6ALDH1A1LMNAMAPT
SCHEMBL8579571 0.80 P2RY6 (0.51) P2RY6ACACBMAPTHPGDHSD17B10
SCHEMBL12599166 0.78 P2RY6 (0.68) KDM4ESMN1; SMN2P2RY6ALDH1A1LMNA
SCHEMBL29053173 0.77 P2RY6 (0.49) SMN1; SMN2P2RY6MAPTHDAC2HDAC8
SCHEMBL6432262 0.76 P2RY6 (0.50) P2RY6ALDH1A1MAPTHPGDHSD17B10
SCHEMBL12601514 0.76 P2RY6 (0.42) KDM4EF13A1SMN1; SMN2P2RY6ACACB
SCHEMBL1853024 0.75 P2RY6 (1.00) P2RY6HIF1AHSD17B10

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-7175953-B2 Short-warp peptide-dye conjugate as contrast agent for optical diagnostic INSTITUTE FUER DIAGNOSTIK FORSCHUNG (DE) 2007-02-13 — — US disclosed
US-7175953-B2 Short-warp peptide-dye conjugate as contrast agent for optical diagnostic INSTITUTE FUER DIAGNOSTIK FORSCHUNG (DE) 2007-02-13 — — US disclosed
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