SCHEMBL31591791

SCHEMBL31591791

CC1(C)C(=O)N(c2ncccn2)c2cccc(Br)c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
PGR P06401 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
AR P10275 1/20 0.31
OPRM1 P35372 1/20 0.31
ELANE P08246 1/20 0.30
POLB P06746 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
SCHEMBL21629966 1.00 MGLL (0.34) MGLLPGRMEN1KMT2AHTT
SCHEMBL31591841 0.84 SMN1; SMN2 (0.46) MGLLPGRMEN1KMT2AHTT
SCHEMBL21630036 0.84 SMN1; SMN2 (0.46) MGLLPGRMEN1KMT2AHTT
SCHEMBL21630003 0.81 AR (0.45) MGLLPGRMEN1KMT2AAR
SCHEMBL31591784 0.81 AR (0.45) MGLLPGRMEN1KMT2AAR
SCHEMBL21630040 0.80 LMNA (0.36) MGLLAROPRM1ELANE
SCHEMBL31591921 0.80 LMNA (0.36) MGLLAROPRM1ELANE
SCHEMBL31591845 0.79 CCNA2 (0.34) MGLLAR
SCHEMBL21629925 0.79 CCNA2 (0.34) MGLLAR
SCHEMBL29374696 0.78 ELANE (0.32) MGLLPGROPRM1ELANE

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-112384505-B Therapeutic heterocyclic compounds 吉利德科学公司 2025-05-27 CN disclosed