SCHEMBL7904684

SCHEMBL7904684

Nc1nc(N2CCCCC2)nn1-c1nnc(-c2ccc(OCCBr)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 10/20 0.38
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL7902709 0.90 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EHRH3BACE1HDAC1
SCHEMBL7905860 0.87 RAB9A (0.35) RAB9ASMN1; SMN2KDM4ENPC1LMNA
SCHEMBL7908470 0.87 HRH3 (0.44) RAB9ASMN1; SMN2KDM4ENPC1LMNA
SCHEMBL7896445 0.85 KDM4E (0.34) RAB9ASMN1; SMN2KDM4ENPC1LMNA
SCHEMBL7896508 0.83 HRH3 (0.41) KDM4EMAPTHRH3BACE1TP53
SCHEMBL7903943 0.81 QPCT (0.42) SMN1; SMN2KDM4ELMNAMAPTHRH3
SCHEMBL7905780 0.79 HRH3 (0.40) KDM4ELMNAMAPTHRH3BACE1
SCHEMBL7896504 0.78 HRH3 (0.39) KDM4ELMNAHRH3BACE1TP53
SCHEMBL7904632 0.75 HRH3 (0.41) RAB9ASMN1; SMN2KDM4ENPC1LMNA
SCHEMBL7896418 0.74 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1LMNA

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed