SCHEMBL30547504

SCHEMBL30547504

C=CC(=O)c1cncc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ HCAR2 Q8TDS4 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 5/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ CASP3 P42574 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MMP14 P50281 1/20 0.43

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
SCHEMBL25257194 1.00 POLB (0.60) POLBHCAR2KDM4EHTTALOX15
SCHEMBL10112710 0.78 POLB (0.56) POLBHCAR2KDM4EHTTALOX15
SCHEMBL22569116 0.77 HTT (0.78) POLBHCAR2KDM4EHTTALOX15
SCHEMBL15562080 0.77 HCAR2 (0.60) HCAR2KDM4EALOX15RAB9ASMN1; SMN2
SCHEMBL8490044 0.77 POLB (0.55) POLBHCAR2KDM4EHTTALOX15
Formaldehyde SCHEMBL27682220 0.76 HCAR2 (0.92) POLBHCAR2KDM4EHTTALOX15
SCHEMBL28801075 0.75 POLB (0.69) POLBHCAR2KDM4EHTTALOX15
SCHEMBL112388 0.75 HCAR2 (1.00) POLBHCAR2KDM4EHTTALOX15
SCHEMBL29603529 0.75 HCAR2 (1.00) POLBHCAR2KDM4EHTTALOX15
SCHEMBL27623883 0.74 POLB (0.56) POLBHCAR2KDM4EHTTALOX15

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-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 — — CN disclosed
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