SCHEMBL31352860

SCHEMBL31352860

COC(=O)c1cc(OCc2ccccc2)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.50
▸ CTSL P07711 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MYC P01106 1/20 0.45
▸ MAX P61244 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL26113307 1.00 CTSV (0.50) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2609073 0.89 MEN1 (0.53) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2063806 0.87 MEN1 (0.57) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29444157 0.87 MEN1 (0.57) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1013111 0.87 MEN1 (0.57) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11922562 0.86 CTSV (0.53) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL18660057 0.86 CTSV (0.50) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30820477 0.86 CTSV (0.50) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
Nitric Acid SCHEMBL7007347 0.85 MEN1 (0.56) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1783172 0.83 MEN1 (0.52) CTSVCTSLSMN1; SMN2ALDH1A1KMT2A

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-119325471-A EGFR inhibitors 缆图药品公司 2025-01-17 — — CN disclosed
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