SCHEMBL30968442

SCHEMBL30968442

COC(=O)c1sc2nc(OC)ccc2c1N

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
THRB P10828 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
GFER P55789 1/20 0.59
KMT2A Q03164 1/20 0.59
ESR2 Q92731 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RXFP1 Q9HBX9 1/20 0.55
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL7844211 1.00 KDM4E (0.59) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL20722419 0.87 LIMK1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL30968434 0.87 LIMK1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8558549 0.84 IKBKB (0.71) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL31221733 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7050857 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL22957480 0.81 MAPT (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL22957572 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL22957483 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL22957481 0.80 KDM4E (0.56) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed