SCHEMBL31284466

SCHEMBL31284466

COC(=O)c1c([N+](=O)[O-])ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ NOTUM Q6P988 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 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
SCHEMBL31284165 0.89 NOTUM (0.47) MAPTNOTUMSMN1; SMN2ALDH1A1MEN1
SCHEMBL31283914 0.89 SIRT6 (0.41) SIRT6MAPTNOTUMSMN1; SMN2ALDH1A1
SCHEMBL31284595 0.87 NOTUM (0.46) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31285341 0.86 NOTUM (0.46) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31285385 0.86 NOTUM (0.46) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31284457 0.85 NOTUM (0.45) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31285325 0.85 NOTUM (0.45) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31284447 0.85 NOTUM (0.45) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31283935 0.84 NOTUM (0.44) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1
SCHEMBL31285035 0.81 NOTUM (0.46) MAPTNOTUMSMN1; SMN2RAB9AALDH1A1

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-119176772-A Compound with Mrgpr X receptor inhibition effect and application thereof 博济医药科技股份有限公司 2024-12-24 — — CN disclosed
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