SCHEMBL29169656

SCHEMBL29169656

COc1ccccc1NC(S)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
EGFR P00533 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 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
SCHEMBL28443048 0.81 GAA (0.58) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL1421426 0.81 ALDH1A1 (0.58) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL1421427 0.81 ALDH1A1 (0.58) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL11871062 0.80 GAA (0.49) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL13240794 0.79 TDP1 (0.51) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL11059118 0.79 KMT2A (0.50) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL2488262 0.79 TDP1 (0.51) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL6659193 0.79 ALDH1A1 (0.49) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL11204130 0.79 KMT2A (0.50) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL5281064 0.78 KMT2A (0.49) KMT2ALMNASMN1; SMN2RAB9AMEN1

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-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed