SCHEMBL31374348

SCHEMBL31374348

CCOC(=O)c1csc(-n2nc(-c3ccncc3)cc2N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.59
GAA P10253 1/20 0.53
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CLK1 P49759 1/20 0.47
UBE2N P61088 1/20 0.47
CDC7 O00311 4/20 0.45
DBF4 Q9UBU7 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CHEK1 O14757 1/20 0.44
PTGER1 P34995 3/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL31374396 0.92 LDHA (0.72) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374435 0.92 LDHA (0.59) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374386 0.90 LDHA (0.58) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374400 0.90 LDHA (0.57) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374395 0.90 LDHA (0.57) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374346 0.89 CHEK1 (0.56) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374380 0.87 LDHA (0.54) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374402 0.86 GAA (0.55) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL31374453 0.85 LDHA (0.57) LDHAGAAALDH1A1MAPTMEN1
SCHEMBL1549091 0.80 LDHA (0.60) LDHAGAAALDH1A1MAPTMEN1

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