SCHEMBL28707285

SCHEMBL28707285

Cc1cccc(C)c1NCC(=O)Nc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 3/20 0.57
SCN3A Q9NY46 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SCN1A P35498 2/20 0.57
SCN2A Q99250 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL30300553 0.86 MEN1 (0.62) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL6715757 0.86 ALDH1A1 (0.54) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL6715760 0.86 MEN1 (0.54) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL11746680 0.85 KMT2A (0.47) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL5838290 0.85 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL11033886 0.85 HDAC6 (0.57) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL7945872 0.83 MAPT (0.52) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL10716284 0.83 LMNA (0.47) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL1232491 0.81 MAPT (0.58) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL11495178 0.80 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C9NFKB1

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-114315632-A Preparation method of ranolazine intermediate impurity 海南鑫开源医药科技有限公司 2022-04-12 CN disclosed