SCHEMBL30114947

SCHEMBL30114947

C=CCC1(C(=O)OCC)Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
OPRM1 P35372 5/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL261190 1.00 BRD4 (0.47) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL261057 0.88 BRD4 (0.47) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL30114968 0.88 BRD4 (0.47) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL31034902 0.84 BRD4 (0.51) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL22904560 0.80 BRD4 (0.48) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL9770038 0.80 BRD4 (0.48) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL25699874 0.79 MEN1 (0.42) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL31034917 0.78 BRD4 (0.46) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL7301462 0.77 BRD4 (0.54) BRD4LMNAMEN1KMT2AOPRM1
SCHEMBL13378149 0.77 MME (0.44) LMNAMEN1KMT2APOLBTSHR

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-115443269-A Substituted pyrimidines and methods of use 施万生物制药研发IP有限责任公司 2022-12-06 CN disclosed