SCHEMBL30529482

SCHEMBL30529482

CCOC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 2/20 0.49
CHRNA7 P36544 1/20 0.48
TP53 P04637 1/20 0.48
SLC34A1 Q06495 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23024544 1.00 MAPT (0.53) MAPTKDM4ELMNASMN1; SMN2THRB
SCHEMBL3698011 0.90 MAPT (0.49) MAPTKDM4ELMNASMN1; SMN2THRB
SCHEMBL5340205 0.84 CHRNA7 (0.61) MAPTKDM4ELMNATHRBCHRNA7
SCHEMBL16876828 0.84 CHRNA7 (0.54) MAPTKDM4ELMNASMN1; SMN2THRB
SCHEMBL30529660 0.82 L3MBTL1 (0.51) L3MBTL1CNR1CNR2KMT2A
SCHEMBL23024350 0.82 L3MBTL1 (0.51) L3MBTL1CNR1CNR2KMT2A
SCHEMBL9205210 0.81 CHRNA7 (0.54) MAPTKDM4ELMNASMN1; SMN2THRB
SCHEMBL3700471 0.81 THRB (0.48) MAPTKDM4ELMNASMN1; SMN2THRB
SCHEMBL9210328 0.80 CHRNA7 (0.63) MAPTKDM4ELMNASMN1; SMN2CHRNA7
SCHEMBL23354929 0.80 KDM4E (0.45) MAPTKDM4ELMNASMN1; SMN2THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed