SCHEMBL30002563

SCHEMBL30002563

CCOC(=O)c1csc(NC(=O)Oc2ccccc2)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.50
PTPN1 P18031 5/20 0.50
PTPRC P08575 1/20 0.50
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPA Q15257 1/20 0.50
GSTO1 P78417 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
ALOX12 P18054 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
POLB P06746 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL29072069 0.89 LMNA (0.51) LMNAPTPN1PTPRCPTPRFPTPN2
SCHEMBL28892328 0.84 MAPT (0.52) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL28892555 0.78 POLB (0.51) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12894813 0.78 ALDH1A1 (0.80) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10760954 0.77 MAPT (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL7472861 0.77 TSHR (0.67) LMNAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL28892519 0.76 POLB (0.49) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10530351 0.74 MEN1 (0.46) LMNAPTPN1PTPRCPTPRFPTPN2
SCHEMBL7139983 0.74 SMN1; SMN2 (0.72) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL30216371 0.73 ILK (0.66) LMNAMAPTALDH1A1SMN1; SMN2MEN1

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-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed