SCHEMBL27490403

SCHEMBL27490403

CCC(CCS(=O)(=O)NCCOC)(C(=O)Oc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 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
SCHEMBL4832503 0.70 MEP1B (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8657654 0.68 USP2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL17230502 0.65 CA12 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13191439 0.64 ELANE (0.47) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28036794 0.64 ELANE (0.47) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28319843 0.64 LMNA (0.43) RAB9ANFKB1KDM4EMEN1KMT2A
SCHEMBL20301958 0.62 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EKMT2AGAA
SCHEMBL19952894 0.62 KMT2A (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL4002525 0.61 CA1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL1998286 0.61 ALDH1A1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN disclosed