SCHEMBL29070977

SCHEMBL29070977

COc1ccc(COc2ccc[c]c2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.45
ABCB1 P08183 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CNR2 P34972 1/20 0.41
APP P05067 3/20 0.40
MEN1 O00255 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
SCHEMBL7686425 0.85 MEN1 (0.47) CYP19A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1554959 0.78 TDP1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL11413066 0.77 NPC1 (0.52) NPC1RAB9AABCB1SMN1; SMN2HTR1A
SCHEMBL6614268 0.77 NPC1 (0.52) NPC1RAB9AABCB1SMN1; SMN2HTR1A
SCHEMBL11125245 0.77 ALDH1A1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL16959987 0.76 NPC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL29070968 0.76 NPC1 (0.51) NPC1RAB9AABCB1SMN1; SMN2HTR1A
SCHEMBL919788 0.76 NPC1 (0.51) NPC1RAB9AABCB1HTR1AADRA1D
SCHEMBL11355167 0.76 NPC1 (0.42) CYP19A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL11413069 0.75 NPC1 (0.49) NPC1RAB9AABCB1SMN1; SMN2HTR1A

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-116332948-A Nitrogen-containing tetracyclic compound, preparation method and medicinal application thereof 翰森生物有限责任公司 2023-06-27 CN disclosed