SCHEMBL28131237

SCHEMBL28131237

Cc1c(C(N)=O)c2cc(Cl)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 2/20 0.46
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.43
OXER1 Q8TDS5 5/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTR6 P50406 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
SRC P12931 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL24067346 0.86 HTT (0.62) GFERMAPTPOLBHTTEGFR
SCHEMBL28268479 0.84 MAPT (0.50) MAPTPOLBHTTEGFRHSD17B10
SCHEMBL5234885 0.82 SMN1; SMN2 (0.52) GFERMAPTPOLBHTTEGFR
SCHEMBL28131223 0.81 POLB (0.47) MAPTPOLBHTTEGFRHSD17B10
SCHEMBL6671401 0.77 EGFR (0.66) MAPTHTTEGFRHSD17B10KDM4E
SCHEMBL29414698 0.77 EGFR (0.66) MAPTHTTEGFRHSD17B10KDM4E
SCHEMBL21782165 0.74 RAB9A (0.55) GFERMAPTKDM4EALDH1A1HPGD
SCHEMBL28868911 0.74 SRC (0.46) MAPTPOLBHTTEGFRHSD17B10
SCHEMBL24067320 0.74 EGFR (0.51) GFERMAPTPOLBHTTEGFR
SCHEMBL10085033 0.74 MAPT (0.47) MAPTPOLBHTTEGFRHSD17B10

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
CN-106459030-B Replace tropane derivatives 东亚荣养株式会社 2019-01-29 CN disclosed
CN-106459030-A Substituted tropane derivatives 东亚荣养株式会社 2017-02-22 CN disclosed