SCHEMBL25047142

SCHEMBL25047142

CC1=C(Br)CN(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ELANE P08246 1/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 1/20 0.32
KDM1A O60341 1/20 0.32
BUB1 O43683 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
NR1H2 P55055 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL18612694 0.76 USP2 (0.32) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL29314278 0.75 HDAC1 (0.34) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL31218507 0.74 CHRM2 (0.44) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL4796997 0.72 CHRM2 (0.43) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL22402231 0.72 KLK7 (0.34) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL26627533 0.72 ESR2 (0.37) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL16790461 0.71 ESR2 (0.34) HDAC1HDAC6ESR2LMNABUB1
SCHEMBL26538715 0.71 HDAC1 (0.33) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL17803281 0.70 ESR2 (0.38) HDAC1HDAC6USP2SMN1; SMN2CHRM2
SCHEMBL29314280 0.70 F13A1 (0.32) HDAC1HDAC6USP2SMN1; SMN2CHRM2

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-2023018214-A1 METHOD FOR SYNTHESIZING BILIRUBIN 주식회사 빌릭스 2023-02-16 WO disclosed