SCHEMBL7986573

SCHEMBL7986573

CCCCC(C)Nc1ccnc2cc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
POLB P06746 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NTSR1 P30989 1/20 0.55
RAD52 P43351 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PAX8 Q06710 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
IDO1 P14902 1/20 0.53
CHRM2 P08172 3/20 0.51
ADRA2A P08913 3/20 0.51
KCNH2 Q12809 3/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.51
ADRA2B P18089 2/20 0.51

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
SCHEMBL12967485 0.81 KCNH2 (0.58) MAPTTDP1IDO1CHRM2ADRA2A
SCHEMBL17704778 0.80 CHRM2 (0.77) MAPTTDP1CHRM2ADRA2AKCNH2
SCHEMBL12967486 0.80 CHRM2 (0.77) MAPTTDP1CHRM2ADRA2AKCNH2
SCHEMBL17817181 0.76 POLB (0.64) MAPTPOLBKMT2ATDP1GAA
SCHEMBL8006419 0.76 POLB (0.64) MAPTPOLBKMT2ATDP1GAA
SCHEMBL2551575 0.76 HSP90AA1 (0.65) MAPTPOLBKMT2ATDP1GAA
SCHEMBL16702858 0.76 CHRM2 (0.75) MAPTTDP1CHRM2ADRA2AKCNH2
SCHEMBL14113503 0.72 ADRA1D (0.58) MAPTTDP1CHRM2ADRA2AKCNH2
SCHEMBL3395176 0.72 IDO1 (0.47) POLBL3MBTL1IDO1SMN1; SMN2ADRB2
SCHEMBL14434181 0.72 POLB (0.61) MAPTPOLBKMT2ATDP1GAA

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-6274596-B1 MICROBIOCIDES FOR DRUG RESISTANCE INFECTIONS ANADYS PHARMACEUTICALS, INC. 2001-08-14 US disclosed
WO-2000024389-A2 BENZOQUINOLINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed