SCHEMBL29110277

SCHEMBL29110277

COC(=O)c1ccc(Cl)cc1N(C(C)=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL27388946 0.85 ABL1 (0.49) ABL1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL8784058 0.80 ABL1 (0.44) ABL1ALDH1A1RAB9AKMT2APOLB
SCHEMBL8784262 0.80 ABL1 (0.50) ABL1ALDH1A1MAPK1RAB9AKMT2A
SCHEMBL8783964 0.77 POLB (0.45) ABL1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL29110340 0.77 POLB (0.48) ABL1ALDH1A1KMT2APOLBMEN1
SCHEMBL3515912 0.74 CFTR (0.53) CYP11B2ABL1ALDH1A1MAPK1NR4A2
SCHEMBL8784727 0.73 POLB (0.40) ABL1ALDH1A1RAB9AKDM4EPOLB
SCHEMBL8784194 0.73 CYP4F2 (0.40) ABL1ALDH1A1KDM4EPOLBALOX15
SCHEMBL27388939 0.72 ABL1 (0.51) ABL1KMT2AKDM4EPOLBALOX15
SCHEMBL8784285 0.72 POLB (0.42) ABL1ALDH1A1KMT2AKDM4EPOLB

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-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 — — CN disclosed
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