SCHEMBL9253949

SCHEMBL9253949

N=C(N)c1ccc(-c2ccc(-c3csc(CCC(=O)O)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGA2B P08514 8/20 0.52
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL9258255 0.85 MEN1 (0.49) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL9258497 0.82 NPC1 (0.53) ITGB3ITGA2BALDH1A1RAB9AKDM4E
SCHEMBL7539560 0.82 NPC1 (0.53) ITGB3ITGA2BALDH1A1RAB9AKDM4E
SCHEMBL7826728 0.81 LOXL2 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2229318 0.80 LMNA (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9252751 0.77 PRMT1 (0.51) ITGB3ITGA2BALDH1A1LMNARAB9A
SCHEMBL9256898 0.76 ITGB3 (0.58) ITGB3ITGA2BHDAC3HDAC1HDAC2
SCHEMBL9251373 0.76 ITGB3 (0.44) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL9257438 0.75 ITGB3 (0.46) ITGB3ITGA2BHDAC6
SCHEMBL21495108 0.75 LOXL2 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed