SCHEMBL28841333

SCHEMBL28841333

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2c(Cl)cc(Cl)cc2c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 14/20 0.40
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 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
SCHEMBL28841248 0.85 ALDH1A1 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL28841235 0.83 ALDH1A1 (0.34) DDR1KMT2AALDH1A1POLBKDM4E
SCHEMBL17609284 0.71 UTRN (0.40) KMT2A
SCHEMBL28841229 0.71 ALDH1A1 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL29878650 0.71 ALDH1A1 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL20607635 0.71 DDR1 (0.35) DDR1ALDH1A1LMNA
SCHEMBL16389596 0.71 UTRN (0.35) DDR1KMT2A
SCHEMBL17231835 0.70 PTGS2 (0.36) DDR1KMT2AALDH1A1POLBKDM4E
SCHEMBL7193264 0.70 NOTUM (0.47) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL15858547 0.69 LMNA (0.33) DDR1KMT2AALDH1A1POLBKDM4E

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-110452234-B Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof 贵州大学 2022-09-23 — — CN disclosed
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