SCHEMBL22052875

SCHEMBL22052875

C=Cc1ccc2ccccc2c1-c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 4/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2354613 0.81 MAPT (0.43) MAPTNPC1RAB9ALMNARECQL
SCHEMBL22187002 0.78 MAPT (0.41) MAPTNPC1RAB9ALMNARECQL
SCHEMBL5888919 0.73 HPRT1 (0.48) MAPTNPC1RAB9ALMNARECQL
SCHEMBL1814529 0.73 ALOX5 (0.48) ATMCYP3A4ALDH1A1CYP2A6HSD17B10
SCHEMBL5670529 0.73 DHFR (0.42) MAPTRAB9ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL23129247 0.72 SLC22A12 (0.51) MAPTLMNAATMALDH1A1TSHR
SCHEMBL13915445 0.70 ATM (0.56) ATMCYP3A4ALDH1A1CYP2A6EGFR
SCHEMBL12262993 0.70 ALDH1A1 (0.45) MAPTNPC1RAB9ALMNARECQL
SCHEMBL31656347 0.69 DNMT1 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12263058 0.69 ALDH1A1 (0.44) MAPTATMCYP3A4ALDH1A1CYP2A6

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
WO-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed