SCHEMBL30516592

SCHEMBL30516592

COC(=O)c1cc(-c2cccnc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
SLC2A1 P11166 1/20 0.51
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
USP30 Q70CQ3 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
PSMD14 O00487 1/20 0.47

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
SCHEMBL13363888 1.00 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2SLC2A1NAMPT
SCHEMBL5293345 0.85 SMN1; SMN2 (0.63) ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL2114045 0.85 SMN1; SMN2 (0.54) NAMPTALDH1A1CYP2C9CYP2C19CYP2E1
SCHEMBL13363878 0.84 CYP46A1 (0.49) ALDH1A1CYP2C19USP30SMN1; SMN2RAB9A
SCHEMBL23930645 0.84 CYP2A6 (0.54) NAMPTCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL30516614 0.82 CYP2E1 (0.55) CYP19A1NAMPTALDH1A1CYP2C9CYP2C19
SCHEMBL370074 0.82 CYP2E1 (0.55) CYP19A1NAMPTALDH1A1CYP2C9CYP2C19
SCHEMBL30516607 0.81 CYP2E1 (0.57) NAMPTCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL6872027 0.81 CYP2E1 (0.57) NAMPTCYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL368446 0.81 CYP2C9 (0.54) CYP19A1NAMPTALDH1A1CYP2C9CYP2C19

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-116528862-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-08-01 CN disclosed