SCHEMBL29476351

SCHEMBL29476351

COC(=O)c1cc(I)c(-c2cc(Cl)c(F)cc2F)cc1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ ACLY P53396 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALPL P05186 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL23540576 1.00 ALDH1A1 (0.41) ALDH1A1ACLYSMN1; SMN2HPGDNPC1
SCHEMBL25485799 0.87 ALDH1A1 (0.42) ALDH1A1ACLYSMN1; SMN2HPGDNPC1
SCHEMBL25486721 0.85 ABL1 (0.44) ALDH1A1ACLYSMN1; SMN2HPGDNPC1
SCHEMBL29654773 0.85 ABL1 (0.44) ALDH1A1ACLYSMN1; SMN2HPGDNPC1
SCHEMBL23539849 0.84 ALDH1A1 (0.40) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL29476206 0.84 ALDH1A1 (0.40) ALDH1A1ACLYHPGDNPC1RAB9A
SCHEMBL23539577 0.82 ALPL (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL29476340 0.81 CFTR (0.51) ALDH1A1ACLYHPGDKDM4EALPL
SCHEMBL23540452 0.81 CFTR (0.51) ALDH1A1ACLYHPGDKDM4EALPL
SCHEMBL7761264 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDKDM4ENQO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 — — EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 — — WO disclosed
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