SCHEMBL8006419

SCHEMBL8006419

CCCCCCNc1ccnc2cc3ccccc3cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GLA P06280 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RCE1 Q9Y256 1/20 0.64
HTR1A P08908 9/20 0.58
ADRA1D P25100 9/20 0.58
ADRA1A P35348 9/20 0.58
ADRA1B P35368 9/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
MITF O75030 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL17817181 1.00 POLB (0.64) POLBKMT2AMEN1LMNAGAA
SCHEMBL14434181 0.86 POLB (0.61) POLBKMT2AMEN1LMNAGAA
SCHEMBL8909239 0.83 HTR1A (0.85) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL31197375 0.83 HTR1A (0.85) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL15923360 0.83 HTR1A (0.85) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL9652157 0.83 HTR1A (0.85) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL31197364 0.83 HTR1A (0.85) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL16916968 0.81 HTR1A (0.82) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL30307405 0.81 HTR1A (0.82) LMNASMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL27512057 0.80 TLR8 (0.58) LMNAGAAMAPTKDM4EALDH1A1

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-2000024389-A2 BENZOQUINOLINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed