SCHEMBL28314922

SCHEMBL28314922

COc1ccc(O)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NNMT P40261 2/20 0.39
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
APP P05067 1/20 0.36
CYP1A2 P05177 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KMT2A Q03164 1/20 0.35
CXCL12 P48061 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL911440 0.77 HPGD (0.40) POLBTDP1NNMTHTTALDH1A1
SCHEMBL29091456 0.77 POLB (0.42) POLBTDP1NNMTALDH1A1NPC1
SCHEMBL28935930 0.77 POLB (0.42) POLBTDP1NNMTALDH1A1NPC1
SCHEMBL29581181 0.77 HPGD (0.40) POLBTDP1NNMTHTTALDH1A1
SCHEMBL7321008 0.76 CYP1A2 (0.44) POLBTDP1NNMTHTTALDH1A1
SCHEMBL586103 0.76 NNMT (0.53) POLBTDP1NNMTHTTALDH1A1
SCHEMBL323351 0.76 POLB (0.55) POLBTDP1NNMTHTTALDH1A1
SCHEMBL2725012 0.75 POLB (0.38) POLBTDP1NNMTHTTALDH1A1
SCHEMBL29952969 0.75 POLB (0.38) POLBTDP1NNMTHTTALDH1A1
SCHEMBL357954 0.74 NNMT (0.39) POLBTDP1NNMTHTTALDH1A1

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
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed