SCHEMBL28469699

SCHEMBL28469699

Cn1c(C(=O)O)cc2cc(B3OC(C)(C)C(C)(C)O3)sc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.37
GPR35 Q9HC97 1/20 0.37
HSD17B10 Q99714 5/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
USP30 Q70CQ3 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 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
SCHEMBL28468100 0.83 UCHL1 (0.36) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL28466869 0.78 HSD17B10 (0.55) MCL1GPR35HSD17B10MAPK1GFER
SCHEMBL17560158 0.71 HSD17B10 (0.59) MCL1GPR35HSD17B10MAPK1GFER
SCHEMBL20618017 0.70 MCL1 (0.50) MCL1GPR35HSD17B10MAPK1GFER
SCHEMBL1830220 0.67 LPL (0.35) MAPK1USP30
SCHEMBL20448653 0.67 DAO (0.34) MCL1MAPK1ALDH1A1HPGDUSP30
SCHEMBL20563255 0.67 USP30 (0.33) USP30
SCHEMBL13721705 0.66 MAPK1 (0.34) MAPK1USP30
SCHEMBL20564062 0.65 PTPN1 (0.34) HSD17B10KDM4EALDH1A1HPGDUSP30
SCHEMBL793571 0.65 LPL (0.40) MAPK1

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-110407854-B Novel tetracyclic compounds 北京加科思新药研发有限公司 2020-09-15 CN disclosed