SCHEMBL7908490

SCHEMBL7908490

CSc1nc(N)n(-c2nnc(-c3ccc(OCCCNCCN4CCOCC4)cc3)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
HRH3 Q9Y5N1 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN3A Q9NY46 1/20 0.38
BACE1 P56817 3/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL7896422 0.88 FLT3 (0.41) FLT3HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL7904730 0.87 FLT3 (0.40) FLT3CYP1A2BACE1LMNAUSP2
SCHEMBL7908577 0.85 FLT3 (0.39) FLT3CYP1A2BACE1LMNAUSP2
SCHEMBL7905726 0.84 FLT3 (0.40) FLT3ALDH1A1USP2
SCHEMBL7904450 0.83 FLT3 (0.40) FLT3ALDH1A1USP2
SCHEMBL7896418 0.78 RAB9A (0.46) HRH3MAPK1ALDH1A1LMNARAB9A
SCHEMBL7896411 0.78 USP2 (0.43) FLT3HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL7902307 0.77 RAB9A (0.40) MAPK1ALDH1A1LMNARAB9AMAPT
SCHEMBL7905953 0.77 RAB9A (0.45) HRH3ALDH1A1LMNARAB9AMAPT
Hydrochloric Acid SCHEMBL7908541 0.76 RAB9A (0.44) HRH3ALDH1A1LMNARAB9AMAPT

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