SCHEMBL29267455

SCHEMBL29267455

NC(=O)c1cnc(-c2cnc(C(F)(F)F)nc2)c(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.38
▸ HPGDS O60760 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NTRK1 P04629 3/20 0.34
▸ GPR183 P32249 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32
▸ NNMT P40261 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 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
SCHEMBL30996264 0.77 ALDH1A1 (0.40) ERN1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2871260 0.75 NNMT (0.45) HPGDSKDM4EPOLBSMN1; SMN2L3MBTL1
SCHEMBL29267430 0.71 ERN1 (0.39) ERN1HPGDSKDM4ESMN1; SMN2L3MBTL1
SCHEMBL29267452 0.68 ALDH1A1 (0.44) ERN1ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL30540236 0.67 ALOX5AP (0.43) ERN1KDM4EALDH1A1
SCHEMBL26635226 0.67 ALOX5AP (0.43) ERN1KDM4EALDH1A1
SCHEMBL26635316 0.67 NOTUM (0.45) ERN1KDM4EALDH1A1L3MBTL1HTT
SCHEMBL17979362 0.66 TRPA1 (0.34) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL31490671 0.65 ALOX5AP (0.37) ERN1KDM4EPOLBCCNE2CCNE1
SCHEMBL26635271 0.64 ERN1 (0.36) ERN1KDM4EALDH1A1

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-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 — — CN disclosed
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