SCHEMBL29913716

SCHEMBL29913716

FC(F)Oc1cc(Br)ccc1I

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL21544112 1.00 MAPK1 (0.34) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL18893865 0.84 ALDH1A1 (0.39) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL29489718 0.84 ALDH1A1 (0.39) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL682486 0.81 MAPK1 (0.43) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL25382442 0.80 HRH4 (0.40) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL19458942 0.79 MAPK1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL983555 0.78 GRIN2B (0.41) MAPK1ALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL29525099 0.78 GRIN2B (0.41) MAPK1ALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL365350 0.76 GRIN2B (0.37) SLC6A4
SCHEMBL14994818 0.76 KDM4E (0.37) MAPK1ALDH1A1TDP1L3MBTL1MEN1

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-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 — — CN disclosed
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