SCHEMBL27412946

SCHEMBL27412946

CC(C)c1nc(CO)n(CCCc2ccccc2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ITGA4 P13612 1/20 0.33
S1PR1 P21453 1/20 0.33
CNR1 P21554 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL27537370 0.97 POLB (0.36) POLBTDP1TSSK1BKMT2AMEN1
SCHEMBL27412965 0.96 POLB (0.35) POLBTDP1TSSK1BKMT2AMEN1
SCHEMBL27534461 0.96 POLB (0.35) POLBTDP1TSSK1BKMT2AMEN1
SCHEMBL27407951 0.94 POLB (0.43) POLBTDP1KMT2AMEN1SMN1; SMN2
SCHEMBL27394329 0.84 KMT2A (0.32) KMT2A
SCHEMBL27407940 0.83 CNR1 (0.39) TDP1CNR1ALDH1A1TP53NPSR1
SCHEMBL27462484 0.81 HDAC1 (0.35) TDP1SMN1; SMN2CNR1NPSR1
SCHEMBL27414196 0.81 TDP1 (0.33) TDP1SMN1; SMN2ITGA4CNR1ALDH1A1
SCHEMBL27397435 0.79 ANXA2 (0.33)
SCHEMBL27421125 0.79 KMT2A (0.32) KMT2A

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