SCHEMBL7947608

SCHEMBL7947608

NC(=O)NC(c1ccc(Br)cc1)c1ccccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.41
ATM Q13315 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ADRB2 P07550 1/20 0.38
IGF1R P08069 2/20 0.37
LSS P48449 1/20 0.37
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL7956436 0.87 PANK3 (0.39) ALDH1A1GAAF2F10PRSS1
SCHEMBL7947472 0.69 SMN1; SMN2 (0.43) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL10684394 0.69 NPC1 (0.62) MEN1KMT2AMAPTALDH1A1HTR1A
SCHEMBL7967171 0.67 KMT2A (0.54) KMT2AHTR1ADRD2
SCHEMBL7956807 0.66 CA12 (0.46) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL7947618 0.66 KMT2A (0.49) MEN1KMT2AMAPTHTR1ADRD2
SCHEMBL7956458 0.65 POLB (0.51) MEN1KMT2AMAPTALDH1A1LSS
SCHEMBL7967178 0.65 SMN1; SMN2 (0.52) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL8631456 0.65 ALDH1A1 (0.56) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL2182609 0.64 GAA (0.67) MEN1KMT2AMAPTMAPK1ALDH1A1

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