SCHEMBL9624913

SCHEMBL9624913

Cc1ccc2c(c1C)CCN(CCCN(C)CCc1scnc1C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9624370 0.85 CNR2 (0.45) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9625024 0.81 MAPT (0.36) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9623751 0.80 MAPT (0.35) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624547 0.80 MAPT (0.36) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624078 0.79 MAPT (0.39) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9625353 0.79 LMNA (0.35) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624945 0.78 MAPT (0.37) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624517 0.78 LMNA (0.35) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624628 0.78 MAPT (0.35) MAPTHCN4ALOX15CYP3A4KDM4E
SCHEMBL9624463 0.78 MAPT (0.36) MAPTHCN4ALOX15CYP3A4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed