SCHEMBL9868569

SCHEMBL9868569

O=C(Nc1cccnc1Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
NNMT P40261 1/20 0.64
POLB P06746 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
CASP6 P55212 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TRPV1 Q8NER1 2/20 0.58
PTGS1 P23219 1/20 0.57
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TLR7 Q9NYK1 1/20 0.55
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53

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
SCHEMBL3941624 0.87 KMT2A (0.67) RAB9ANPC1NNMTPOLBKMT2A
SCHEMBL14082710 0.86 RAB9A (0.58) RAB9ANPC1NNMTPOLBKMT2A
SCHEMBL1520680 0.85 RAB9A (0.77) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL9867050 0.85 RAB9A (1.00) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL30117873 0.83 RAB9A (0.79) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL3096372 0.83 RAB9A (0.79) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL14542182 0.82 RAB9A (0.78) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL11837615 0.81 RAB9A (0.76) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL11837609 0.81 RAB9A (0.76) RAB9ANPC1POLBKMT2ATDP1
SCHEMBL29655108 0.81 HDAC6 (0.73) RAB9ANPC1POLBKMT2ATDP1

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-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 US disclosed