SCHEMBL22685372

SCHEMBL22685372

Nc1cc(C(F)(F)F)cnc1-c1ccc(C2(N)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKT1 P31749 16/20 0.39
AKT2 P31751 7/20 0.39
P2RY14 Q15391 1/20 0.37

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
SCHEMBL22685204 0.78 AKT1 (0.41) AKT1AKT2
SCHEMBL28488029 0.78 PTGS2 (0.35) KDM4EALDH1A1POLBSMN1; SMN2AKT1
SCHEMBL22657407 0.74 CFTR (0.37) KDM4EPOLBAKT1AKT2
SCHEMBL24910004 0.74 ALDH1A1 (0.50) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL16528967 0.74 ALDH1A1 (0.48) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL17680200 0.73 KIF11 (0.52) P2RY14
SCHEMBL22686802 0.73 AKT1 (0.41) AKT1AKT2P2RY14
SCHEMBL22685182 0.73 PDE2A (0.41)
SCHEMBL27437535 0.72 ALDH1A1 (0.43) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL22685206 0.72 PDE2A (0.48)

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed