SCHEMBL31490337

SCHEMBL31490337

COC(=O)c1ccc2c(c1)OCC(=O)N2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
FGFR1 P11362 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CTSG P08311 2/20 0.42
CMA1 P23946 2/20 0.42
ALOX5 P09917 1/20 0.41
CASP3 P42574 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL23768991 1.00 NPC1 (0.49) NPC1KMT2AMEN1MAPTCYP1A2
SCHEMBL18581771 0.90 NPC1 (0.46) NPC1KMT2AMEN1MAPTCYP1A2
SCHEMBL23768829 0.86 KDM4E (0.44) NPC1MAPTHPGDFGFR1RAB9A
SCHEMBL23768830 0.84 TSHR (0.43) HPGDFGFR1GAAHSP90AA1
SCHEMBL28019623 0.82 GAA (0.52) NPC1MAPTHPGDGAARAB9A
SCHEMBL474743 0.81 SMN1; SMN2 (0.53) NPC1MAPTHPGDRAB9AALDH1A1
SCHEMBL30040938 0.81 SMN1; SMN2 (0.53) NPC1MAPTHPGDRAB9AALDH1A1
SCHEMBL30248614 0.80 ITGB3 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5914800 0.80 ITGB3 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL28820112 0.79 ALDH1A1 (0.51) MAPTHPGDGAAALDH1A1KDM4E

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN disclosed