SCHEMBL14279166

SCHEMBL14279166

O=C(NC(CCS)C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.56
▸ KDM1B Q8NB78 2/20 0.56
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ MAOA P21397 1/20 0.51
▸ PADI6 Q6TGC4 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PADI4 Q9UM07 1/20 0.50
▸ CTRB1 P17538 1/20 0.50

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
SCHEMBL7349361 0.89 CTRB1 (0.56) KDM1AKDM1BCTSLCTSSCTSK
SCHEMBL14279164 0.88 KMT2A (0.54) CTSLCTSSKMT2A
SCHEMBL16155821 0.84 KDM1A (0.63) KDM1AKDM1BCTSLCTSSCTSK
SCHEMBL15764565 0.84 KDM1A (0.63) KDM1AKDM1BCTSLCTSSCTSK
SCHEMBL14279165 0.83 HPGD (0.51) TP53KMT2A
SCHEMBL15764569 0.83 GRIN1 (0.63) KDM1AKDM1BMAOAPADI6PADI4
SCHEMBL17133692 0.83 GRIN1 (0.63) KDM1AKDM1BMAOAPADI6PADI4
SCHEMBL17531099 0.83 KDM1A (0.62) KDM1AKDM1BCTSLCTSSCTSK
SCHEMBL14279161 0.82 HPGD (0.61) —
SCHEMBL16150248 0.82 KDM1A (0.58) KDM1AKDM1BCTSLCTSSCTSK

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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