SCHEMBL29654688

SCHEMBL29654688

CC(=O)Nc1cc(-c2ccc(F)cc2F)c(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TTR P02766 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ HMGB1 P09429 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CXCL12 P48061 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ ACMSD Q8TDX5 1/20 0.41
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL23539997 1.00 KDM4E (0.44) KDM4EHSD17B10NPC1ALDH1A1TTR
SCHEMBL29476287 0.88 ALPL (0.41) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL23539711 0.88 ALPL (0.41) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL23539879 0.85 KDM4E (0.46) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL25326637 0.78 CFTR (0.52) KDM4EHSD17B10ALDH1A1TTRMEN1
SCHEMBL252578 0.74 KDM4E (0.65) KDM4EHSD17B10NPC1ALDH1A1LMNA
SCHEMBL7144739 0.74 KDM4E (0.51) KDM4EHSD17B10NPC1ALDH1A1MEN1
SCHEMBL23541000 0.73 SLC6A4 (0.49) KDM4EHSD17B10NPC1ALDH1A1LMNA
SCHEMBL29476278 0.73 SLC6A4 (0.49) KDM4EHSD17B10NPC1ALDH1A1LMNA
SCHEMBL30603334 0.72 SMN1; SMN2 (0.46) KDM4ENPC1ALDH1A1CA1CA2

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
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO disclosed
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