SCHEMBL3361183

SCHEMBL3361183

NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MPO P05164 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ LTA4H P09960 1/20 0.66
▸ ACE P12821 2/20 0.65
▸ MME P08473 1/20 0.63
▸ ECE1 P42892 3/20 0.60
▸ ALOX15 P16050 1/20 0.60

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
SCHEMBL11853819 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL30625385 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL29372832 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL9308524 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL29442915 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL10448989 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL17157280 1.00 KMT2A (0.67) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL30052812 0.98 KMT2A (0.64) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL30288025 0.98 KMT2A (0.64) KMT2AKDM4EMEN1LMNAMPO
SCHEMBL29578686 0.97 LTA4H (0.65) KMT2AKDM4EMEN1LMNAMPO

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
WO-2010045474-A2 METHOD OF REMOVING PROTEIN-BOUND DELETERIOUS SUBSTANCES DURING EXTRACORPOREAL RENAL REPLACEMENT TREATMENT FRESENIUS MEDICAL CARE HOLDINGS, INC. (US) 2010-04-22 — — WO disclosed
CN-1946847-A Process for producing dipeptide KYOWA HAKKO KOGYO KK (JP) 2007-04-11 — — CN disclosed
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