SCHEMBL28675112

SCHEMBL28675112

NC(=O)OCC(=O)Nc1nc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE5A O76074 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 4/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
LMNA P02545 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL28659169 0.81 L3MBTL1 (0.47) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL21224439 0.80 CA1 (0.41) CYP1A2CYP2C19PDE5ASMN1; SMN2MAPT
SCHEMBL28673842 0.77 MEN1 (0.62) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL1358076 0.76 CGAS (0.47) CYP1A2CYP2C19PDE5ASMN1; SMN2KMT2A
SCHEMBL28515106 0.73 ATP4A (0.55) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL22290987 0.73 MAPK1 (0.47) CYP1A2CYP2C19PDE5ASMN1; SMN2NPC1
SCHEMBL706986 0.72 L3MBTL1 (0.44) CYP1A2CYP2C19SMN1; SMN2MAPTMEN1
SCHEMBL28526916 0.72 MAPT (0.56) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL28939660 0.72 RAB9A (0.56) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL28666285 0.71 MEN1 (0.55) SMN1; SMN2MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444523-A Compounds as SMARCA2 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-07-18 CN disclosed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 CN disclosed
CN-113645971-A Compound and use thereof 福宏治疗公司 2021-11-12 CN disclosed