SCHEMBL27412965

SCHEMBL27412965

CC(C)c1nc(CO)n(CCCCCCc2ccccc2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OXER1 Q8TDS5 8/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR3 P51677 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSSK1B Q9BXA7 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GCGR P47871 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL27534461 1.00 POLB (0.35) POLBTDP1OXER1MEN1KMT2A
SCHEMBL27537370 0.99 POLB (0.36) POLBTDP1OXER1MEN1KMT2A
SCHEMBL27412946 0.96 POLB (0.37) POLBTDP1OXER1MEN1KMT2A
SCHEMBL27407951 0.92 POLB (0.43) POLBTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL27394329 0.83 KMT2A (0.32) KMT2A
SCHEMBL27407940 0.81 CNR1 (0.39) TDP1
SCHEMBL27462484 0.79 HDAC1 (0.35) TDP1SMN1; SMN2
SCHEMBL27414196 0.79 TDP1 (0.33) TDP1SMN1; SMN2ITGA4
SCHEMBL6968283 0.79 POLB (0.37) POLBTDP1OXER1MEN1KMT2A
SCHEMBL6973152 0.78 POLB (0.37) POLBTDP1OXER1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed