SCHEMBL14279164

SCHEMBL14279164

O=C(NC(CCS)C(=O)NCc1cccnc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ ECE1 P42892 1/20 0.52
▸ CTSV O60911 1/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ NAMPT P43490 2/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ HTT P42858 4/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ LMNA P02545 5/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GPR132 Q9UNW8 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP1A2 P05177 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
SCHEMBL14279166 0.88 KDM1A (0.56) KMT2ACTSLCTSS
SCHEMBL1161997 0.79 NAMPT (0.75) KMT2ANAMPTHTTUSP2KEAP1
SCHEMBL3584207 0.78 CTSB (0.53) CTSVCTSLCTSBCTSSMAPK14
SCHEMBL7349361 0.78 CTRB1 (0.56) KMT2ACTSLCTSSALDH1A1
SCHEMBL13159683 0.76 HDAC1 (0.64) LMNAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL13183097 0.76 HDAC1 (0.64) LMNAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL10801513 0.76 KMT2A (0.65) KMT2APKMECE1HTTUSP2
SCHEMBL10659411 0.75 GPR132 (0.72) ECE1CTSVCTSLCTSBCTSS
SCHEMBL14279165 0.75 HPGD (0.51) KMT2ALMNANPSR1HPGDSMN1; SMN2
SCHEMBL202770 0.75 CTSL (0.60) KMT2AECE1CTSVCTSLCTSB

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-7320755-B2 Method of preparing ligands for hydrophobic interaction chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2008-01-22 — — US disclosed
US-7320755-B2 Method of preparing ligands for hydrophobic interaction chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2008-01-22 — — US disclosed
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