SCHEMBL4786449

SCHEMBL4786449

Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2c[nH]c(-c3c(F)cccc3Cl)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRSS12 P56730 2/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC3 O15379 4/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGES O14684 2/20 0.40

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
SCHEMBL4786450 0.91 HDAC1 (0.46) HDAC1MEN1KMT2APRSS12HDAC2
SCHEMBL4786423 0.85 MEN1 (0.47) HDAC1MEN1KMT2AHDAC2HDAC3
SCHEMBL4783219 0.78 TTR (0.55) KDM4EPTGES
SCHEMBL4786495 0.78 PTGES (0.47) HDAC1PRSS12HDAC2HDAC3PTGES
SCHEMBL3800201 0.77 PTGES (0.43) HDAC1MEN1KMT2AHDAC2HDAC3
SCHEMBL4784907 0.76 RHEB (0.46) MEN1KMT2AKDM4EPTGES
SCHEMBL13075946 0.76 DEGS1 (0.46) MEN1KMT2AHDAC6PTGES
SCHEMBL13075516 0.76 NPC1 (0.46) MEN1KMT2APRSS12KDM4EPTGES
SCHEMBL4784998 0.75 PTGES (0.45) HDAC1PRSS12HDAC2HDAC3PTGES
SCHEMBL4847730 0.74 PTGES (0.45) HDAC1PRSS12HDAC2PTGES

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed