SCHEMBL29966567

SCHEMBL29966567

Nc1cc2c(c3ccccc13)C(CCl)CN2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ABL2 P42684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
HPRT1 P00492 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL22096348 1.00 ADH1A (0.32) ADH1AKITFLT1FLT4KDR
SCHEMBL4590034 1.00 ADH1A (0.32) ADH1AKITFLT1FLT4KDR
SCHEMBL9885494 0.82 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL29375160 0.82 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL584232 0.82 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL13293994 0.82 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL16847796 0.81 ADH1A (0.30) ADH1AKITFLT1FLT4KDR
Hydrochloric Acid SCHEMBL16933151 0.81 ADH1A (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL16942004 0.77 CTSB (0.41) KDM4EHTTHPRT1PKM
SCHEMBL3563974 0.77 CTSB (0.41) KDM4EHTTHPRT1PKM

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-109313200-B Bioanalytical methods for characterizing site-specific antibody-drug conjugates 豪夫迈·罗氏有限公司 2022-10-04 CN disclosed