SCHEMBL31374352

SCHEMBL31374352

CCOC(=O)c1csc(-n2nc(-c3ccc(OC)cc3)cc2NC(C)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.61
PTGER1 P34995 4/20 0.52
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CTDSP1 Q9GZU7 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
SCHEMBL31374375 0.88 LDHA (0.79) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374383 0.85 PTGER1 (0.56) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374346 0.85 CHEK1 (0.56) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374354 0.76 CHEK1 (0.62) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374435 0.75 LDHA (0.59) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374402 0.75 GAA (0.55) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL1549091 0.74 LDHA (0.60) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374395 0.74 LDHA (0.57) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374400 0.74 LDHA (0.57) LDHAPTGER1MAPTRAB9ANPC1
SCHEMBL31374348 0.73 LDHA (0.59) LDHAPTGER1MAPTRAB9ANPC1

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