SCHEMBL31374375

SCHEMBL31374375

COc1ccc(-c2cc(NC(C)=O)n(-c3nc(C(=O)O)cs3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.79
PTGER1 P34995 7/20 0.67
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHEK1 O14757 1/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 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
SCHEMBL31374352 0.88 LDHA (0.61) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL17900391 0.84 PTGER1 (0.74) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL31374351 0.83 LDHA (0.75) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL31374354 0.76 CHEK1 (0.62) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL31374419 0.75 CHEK1 (0.70) LDHAPTGER1KDM4EALDH1A1CHEK1
SCHEMBL31374341 0.74 LDHA (0.61) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL31324294 0.74 MAPT (0.74) ALDH1A1POLBMAPTSMN1; SMN2ADORA3
SCHEMBL31324291 0.72 NPY5R (0.54) LDHAKDM4EALDH1A1POLBMAPT
SCHEMBL31374383 0.71 PTGER1 (0.56) LDHAPTGER1KDM4EALDH1A1POLB
SCHEMBL23615203 0.71 PTGER1 (0.72) LDHAPTGER1KDM4EALDH1A1POLB

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-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 CN disclosed