SCHEMBL7908470

SCHEMBL7908470

CN(C)CCCOc1ccc(-c2nnc(-n3nc(N4CCCCC4)nc3N)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.44
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LSS P48449 1/20 0.37
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
AGER Q15109 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
SCHEMBL7904684 0.87 RAB9A (0.39) HRH3RAB9ALMNAMAPTKDM4E
SCHEMBL7905860 0.85 RAB9A (0.35) HRH3RAB9ALMNAMAPTKDM4E
SCHEMBL7902674 0.85 HRH3 (0.40) HRH3KDM4E
SCHEMBL7896445 0.84 KDM4E (0.34) HRH3RAB9ALMNAMAPTKDM4E
SCHEMBL7904622 0.84 HRH3 (0.39) HRH3KDM4E
SCHEMBL7905953 0.82 RAB9A (0.45) HRH3RAB9ALMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL7908541 0.81 RAB9A (0.44) HRH3RAB9ALMNAMAPTKDM4E
SCHEMBL7905274 0.80 HRH3 (0.41) HRH3KDM4ESMN1; SMN2SYK
SCHEMBL7904733 0.77 RAB9A (0.40) HRH3RAB9ALMNAMAPTKDM4E
SCHEMBL7902709 0.77 SMN1; SMN2 (0.44) HRH3KDM4ESMN1; SMN2

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