SCHEMBL29951841

SCHEMBL29951841

Cn1c(B(O)O)cc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAP3K14 Q99558 1/20 0.38
PSMB8 P28062 1/20 0.38
KMO O15229 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAT2A P31153 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1605841 1.00 CDC7 (0.38) CDC7CDK2ROCK1MAP3K14PSMB8
SCHEMBL29951367 0.86 RXFP1 (0.47) KDM4EHCRTR1MAPTCASP1CASP7
SCHEMBL29957181 0.79 KDM4E (0.39) CDC7CDK2ROCK1KDM4EHCRTR1
SCHEMBL1606273 0.79 KDM4E (0.39) CDC7CDK2ROCK1KDM4EHCRTR1
SCHEMBL29955182 0.76 DAO (0.50) KDM4EMAPTKMT2A
SCHEMBL411586 0.76 DAO (0.50) KDM4EMAPTKMT2A
SCHEMBL29950789 0.75 KDM4E (0.43) KDM4EENPP2
SCHEMBL10222171 0.73 PSMB8 (0.42) CDC7CDK2ROCK1MAP3K14PSMB8
SCHEMBL8899305 0.72 PSMB8 (0.41) CDC7CDK2ROCK1MAP3K14PSMB8
SCHEMBL1605189 0.70 NR1H2 (0.38) ROCK1LMNAL3MBTL1KMT2ACCR9

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed