SCHEMBL7904663

SCHEMBL7904663

CSc1nc(N)n(-c2nnc(-c3ccccc3OCCCN3CCSCC3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 4/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FLT3 P36888 1/20 0.33
PKM P14618 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL7896514 0.93 HRH3 (0.42) MEN1KMT2AHRH3KCNH2BACE1
SCHEMBL7908450 0.92 HRH3 (0.43) MEN1KMT2AHRH3KCNH2BACE1
SCHEMBL7896411 0.91 USP2 (0.43) HRH3KCNH2ALDH1A1L3MBTL1KDM4E
SCHEMBL7905726 0.85 FLT3 (0.40) ALDH1A1L3MBTL1KDM4EFLT3POLB
SCHEMBL7902622 0.85 KDM4E (0.36) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7904450 0.84 FLT3 (0.40) ALDH1A1L3MBTL1KDM4EFLT3POLB
SCHEMBL7904730 0.83 FLT3 (0.40) BACE1L3MBTL1KDM4ECYP2D6FLT3
SCHEMBL7896441 0.83 HTR1B (0.37) HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7903914 0.82 HTR1B (0.36) HRH3ALDH1A1KDM4E
SCHEMBL7908577 0.82 FLT3 (0.39) BACE1L3MBTL1KDM4ECYP2D6FLT3

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