SCHEMBL8032038

SCHEMBL8032038

CN(C)CCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.46
NR1I2 O75469 6/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR6 P50406 2/20 0.39
ALOX5AP P20292 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMARCA2 P51531 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38

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
SCHEMBL8032566 0.96 F2 (0.46) F2NR1I2CNR1CNR2TP53
SCHEMBL8026892 0.89 F2 (0.53) F2SMN1; SMN2HTR6LMNABRD1
SCHEMBL8028340 0.86 PAX8 (0.49) F2TP53SMN1; SMN2HTR6LMNA
SCHEMBL8028450 0.86 F2 (0.63) F2NR1I2CNR1CNR2HTR6
SCHEMBL8031467 0.86 F2 (0.44) F2CNR1CNR2HTR6BRD1
SCHEMBL8015857 0.86 BRD4 (0.46) F2HTR6MEN1LMNAMAPT
SCHEMBL8033092 0.86 F2 (0.51) F2NR1I2CNR1CNR2ALOX5AP
SCHEMBL8016214 0.85 LMNA (0.47) F2TP53SMN1; SMN2LMNAHTT
SCHEMBL8029677 0.85 F2 (0.44) F2CNR1CNR2HTR6
SCHEMBL8033079 0.85 F2 (0.49) F2CNR2HTR6

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed