SCHEMBL31055014

SCHEMBL31055014

Cc1cc(C)n(CC(=O)c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.73
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
MGAM O43451 1/20 0.52
AMY1A P0DUB6 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
CXCR3 P49682 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL14074043 0.79 HTT (0.50) RAB9AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL113242 0.79 LMNA (1.00) RAB9AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL7788141 0.75 LMNA (0.72) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL15156607 0.75 LMNA (0.56) RAB9AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4522189 0.74 LMNA (0.70) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL4934431 0.74 LMNA (0.70) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5354677 0.74 PLOD2 (0.50) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL12883033 0.73 LMNA (0.68) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1852463 0.72 KMT2A (0.56) RAB9AHTTLMNAALDH1A1MGAM
SCHEMBL8244217 0.71 LMNA (0.66) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E

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-118726999-A Preparation method of phosphoryl azole acetophenone derivatives 上海兆维科技发展有限公司 2024-10-01 CN disclosed