SCHEMBL7967175

SCHEMBL7967175

O=C(NCc1ccc(N2CCN(c3ccncc3)CC2)cc1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
KDM1A O60341 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL9422508 0.84 MMP13 (0.68) ALDH1A1LMNAKMT2AL3MBTL1CA1
SCHEMBL29123739 0.84 L3MBTL1 (0.71) ALDH1A1LMNAKMT2AL3MBTL1CA1
SCHEMBL7967171 0.82 KMT2A (0.54) KMT2A
SCHEMBL7967165 0.81 HPGD (0.57) ALDH1A1LMNAHDAC1KMT2AL3MBTL1
SCHEMBL3918071 0.77 HDAC1 (0.80) ALDH1A1LMNAHDAC1HDAC3HDAC4
SCHEMBL3918069 0.77 HDAC1 (0.80) ALDH1A1LMNAHDAC1HDAC3HDAC4
SCHEMBL29258273 0.76 NAMPT (0.70) NAMPT
SCHEMBL15743767 0.75 LMNA (0.53) ALDH1A1LMNAHDAC1HDAC3HDAC4
SCHEMBL7402710 0.75 DRD2 (0.59) CYP2C19
SCHEMBL7956461 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed