SCHEMBL30140955

SCHEMBL30140955

C[C@H](c1ccc(NCc2ccc(Cl)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
CNR2 P34972 1/20 0.51
MAPT P10636 4/20 0.51
HDAC1 Q13547 1/20 0.50
FFAR1 O14842 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL26099592 1.00 MEN1 (0.54) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL30140879 1.00 MEN1 (0.54) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL855985 0.85 RAB9A (0.62) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL23727626 0.82 RAB9A (0.65) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL26100173 0.82 RAB9A (0.65) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL23747546 0.82 RAB9A (0.65) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL26101325 0.82 CA12 (0.63) MEN1KMT2ARAB9AMAPTFFAR1
SCHEMBL26098148 0.82 CA12 (0.63) MEN1KMT2ARAB9AMAPTFFAR1
SCHEMBL13565241 0.80 MEN1 (0.53) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL10945837 0.79 MEN1 (0.71) MEN1KMT2ARAB9ACYP1A2CYP2C9

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-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed