SCHEMBL4371190

SCHEMBL4371190

Brc1ccc(Sc2ccnc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.42
NCF1 P14598 1/20 0.42
SLC22A12 Q96S37 3/20 0.40
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
KDR P35968 2/20 0.36
KDM1A O60341 1/20 0.36
GABRA1 P14867 1/20 0.35

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
SCHEMBL7488303 0.83 KDM1A (0.54) MEN1HTTKMT2ADHFRNCF1
SCHEMBL27306674 0.83 NCF1 (0.46) DHFRNCF1SLC22A12LOXL2HTR1A
SCHEMBL8560845 0.80 NCF1 (0.42) MEN1KMT2ANCF1SLC22A12SMN1; SMN2
SCHEMBL8563075 0.77 MAPT (0.52) MEN1HTTKMT2ADHFRSMN1; SMN2
SCHEMBL13239525 0.77 HPGD (0.53) MEN1HTTKMT2ASLC22A12SMN1; SMN2
SCHEMBL830704 0.74 HTT (0.51) MEN1HTTKMT2ADHFREGFR
SCHEMBL29085862 0.74 HDAC6 (0.52) MEN1HTTKMT2ASMN1; SMN2LMNA
SCHEMBL24871315 0.72 SMN1; SMN2 (0.44) MEN1HTTKMT2ADHFRSMN1; SMN2
SCHEMBL13730600 0.72 SMN1; SMN2 (0.47) MEN1HTTKMT2ADHFRSMN1; SMN2
SCHEMBL7488299 0.71 NCF1 (0.56) MEN1HTTKMT2ANCF1SLC22A12

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
EP-2061466-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS Xtl Biopharmaceuticals Ltd. (US) 2009-05-27 EP disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed