SCHEMBL30968892

SCHEMBL30968892

CCCCSc1nc2ccc(Cl)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16685502 1.00 KDM4E (0.38) KDM4ELMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7716540 0.76 SMN1; SMN2 (0.49) KDM4ELMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL16685569 0.75 HPGD (0.58) KDM4ENPSR1ALDH1A1SMN1; SMN2GFER
SCHEMBL16696186 0.73 HPGD (0.34) KDM4ELMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL9218365 0.71 PDK1 (0.56) KDM4EALDH1A1SMN1; SMN2GFERCYP1A2
SCHEMBL30422981 0.71 CYP1A2 (0.75) KDM4ELMNAALDH1A1SMN1; SMN2GFER
SCHEMBL422527 0.71 CYP1A2 (0.75) KDM4ELMNAALDH1A1SMN1; SMN2GFER
SCHEMBL14676613 0.70 MAOB (0.52) KDM4ELMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10974016 0.69 ALDH1A1 (0.41) KDM4ELMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL16696187 0.69 HASPIN (0.39) LMNANPSR1ALDH1A1SMN1; 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-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 CN disclosed