SCHEMBL8076750

SCHEMBL8076750

CSc1ccc2c(SCc3ccc(N(CCO)CCO)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
PRNP P04156 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
QPCT Q16769 4/20 0.31
CYP3A4 P08684 1/20 0.31
CDK1 P06493 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
ADRA1D P25100 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8076718 0.90 BACE1 (0.37) BACE1PRNPRXFP1KDM4EPOLB
SCHEMBL8089824 0.88 PRNP (0.34) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8076742 0.85 QPCT (0.41) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8084848 0.85 PRNP (0.37) BACE1PRNPRXFP1KDM4EPOLB
SCHEMBL8084787 0.80 KMT2A (0.39) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8084735 0.78 ALDH1A1 (0.36) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8084411 0.76 KMT2A (0.37) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8084777 0.76 PRNP (0.34) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8088277 0.75 PRNP (0.33) PRNPRXFP1KDM4EPOLBKMT2A
SCHEMBL8088244 0.75 MAPKAPK2 (0.38) PRNPRXFP1KDM4EPOLBKMT2A

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed