SCHEMBL29654773

SCHEMBL29654773

COC(=O)c1cc(I)c(-c2ccc(F)c(Cl)c2)cc1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ ACLY P53396 1/20 0.40
▸ CHRM3 P20309 8/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL25486721 1.00 ABL1 (0.44) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL25486723 0.88 ABL1 (0.44) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL29654471 0.85 ABL1 (0.44) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL24524870 0.85 ABL1 (0.44) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL29476351 0.85 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL23540576 0.85 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL29476129 0.84 SLC6A4 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23539775 0.84 SLC6A4 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL24525035 0.82 CFTR (0.50) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL29654654 0.82 CFTR (0.50) ABL1ALDH1A1NPC1RAB9AMEN1

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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