SCHEMBL6532368

SCHEMBL6532368

O=C(O)COc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.64
HDAC4 P56524 6/20 0.64
HDAC1 Q13547 6/20 0.64
HDAC7 Q8WUI4 6/20 0.64
HDAC2 Q92769 6/20 0.64
HDAC10 Q969S8 6/20 0.64
HDAC11 Q96DB2 6/20 0.64
HDAC8 Q9BY41 6/20 0.64
HDAC6 Q9UBN7 6/20 0.64
HDAC9 Q9UKV0 6/20 0.64
HDAC5 Q9UQL6 6/20 0.64
HPSE Q9Y251 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL6532397 0.87 NPC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6528477 0.85 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6529482 0.85 HPSE (0.59) HDAC6HPSEKMT2AKDM4EPOLB
SCHEMBL6530461 0.84 KDM4E (0.70) HPSEMEN1KMT2AKDM4EPOLB
SCHEMBL6508327 0.82 HPSE (0.66) HPSEMEN1KMT2AKDM4EPOLB
SCHEMBL6514739 0.82 MMP2 (0.80) HPSEMEN1KMT2AKDM4EMAPT
SCHEMBL6527951 0.81 HPSE (0.61) HDAC3HDAC1HDAC2HPSEKMT2A
SCHEMBL6527955 0.79 NPC1 (0.69) HPSEMEN1KMT2AKDM4EPOLB
SCHEMBL6533101 0.79 NPC1 (0.56) HDAC6HPSEKMT2AKDM4EPOLB
SCHEMBL6506624 0.78 HPSE (0.68) HDAC3HDAC1HDAC2HPSEMEN1

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
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed