SCHEMBL31412992

SCHEMBL31412992

CCOC(=O)c1cc2cc(OCc3ccccc3)c(OC)cc2n1C

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.78
SRD5A1 P18405 2/20 0.78
ACHE P22303 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.44
PLK1 P53350 2/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 1/20 0.43
CHRNA7 P36544 2/20 0.42

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
SCHEMBL31412991 0.88 SRD5A2 (1.00) SRD5A2SRD5A1ACHENPC1HPGD
SCHEMBL31412989 0.86 SRD5A1 (0.53) SRD5A2SRD5A1ACHEHPGDSMN1; SMN2
SCHEMBL7216766 0.85 SRD5A1 (0.59) SRD5A2SRD5A1NPC1HPGDRAB9A
SCHEMBL8687408 0.81 SRD5A2 (0.76) SRD5A2SRD5A1MAOANPC1RAB9A
SCHEMBL4997665 0.79 SRD5A2 (0.47) SRD5A2SRD5A1HPGDSMN1; SMN2
SCHEMBL4054227 0.79 SRD5A2 (0.47) SRD5A2SRD5A1MAOASMN1; SMN2
SCHEMBL6797552 0.78 KDM4E (0.49) SRD5A2SRD5A1MAOANPC1HPGD
SCHEMBL5750152 0.77 NPC1 (0.56) SRD5A2SRD5A1NPC1HPGDRAB9A
SCHEMBL12392918 0.76 SRD5A2 (0.53) SRD5A2SRD5A1MAOANPC1HPGD
SCHEMBL1609793 0.76 F2 (0.53) SRD5A2SRD5A1NPC1HPGDRAB9A

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-119504554-A Indole compounds and indole dimer compounds and their use as STING agonists 深圳湾实验室 2025-02-25 CN disclosed