SCHEMBL30143533

SCHEMBL30143533

Cc1cc(OC2CCCCO2)c(OC2CCCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
PDE4B Q07343 2/20 0.37
MEN1 O00255 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.36
WNK1 Q9H4A3 1/20 0.35
HCAR3 P49019 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3036505 0.82 KMT2A (0.47) KMT2ANPC1RAB9AALDH1A1
SCHEMBL20240595 0.82 NPC1 (0.44) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL23907105 0.79 PDE4B (0.39) KMT2APDE4BMEN1NPC1RAB9A
SCHEMBL28924091 0.79 TDP1 (0.45) KMT2APDE4BMEN1ALDH1A1SMN1; SMN2
SCHEMBL8862244 0.76 TDP1 (0.42) KMT2AMEN1ALDH1A1WNK1
SCHEMBL28924076 0.76 PDE4B (0.37) KMT2APDE4BMEN1HPGDALDH1A1
SCHEMBL25229721 0.75 ALDH1A1 (0.43) KMT2APDE4BMEN1NPC1RAB9A
SCHEMBL2905188 0.75 PDE5A (0.50) KMT2APDE4BMEN1NPC1RAB9A
SCHEMBL22660325 0.74 GSTP1 (0.34) KMT2AMEN1ALDH1A1WNK1CYP1A2
SCHEMBL15365454 0.74 KMT2A (0.36) KMT2AMEN1NPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536571-B Preparation method of indole derivative 上海裕兰生物科技有限公司 2024-03-29 CN disclosed
CN-115536571-A Preparation method of indole derivative 上海裕兰生物科技有限公司 2022-12-30 CN disclosed