SCHEMBL6774259

SCHEMBL6774259

O=C(Nc1ccc(Cl)cn1)c1cc(Cl)cnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 2/20 0.61
ALOX15 P16050 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
SORT1 Q99523 1/20 0.59
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 2/20 0.58
BRD4 O60885 1/20 0.57
PTK2 Q05397 1/20 0.57
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
PKM P14618 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
SCHEMBL14885955 0.83 TMPRSS4 (0.74) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL30472745 0.83 TMPRSS4 (0.74) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL1998921 0.82 F10 (0.60) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL5395436 0.82 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL3151641 0.80 SORT1 (0.61) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL6592032 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL2989305 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL13235136 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL2433512 0.77 POLB (0.67) RAB9ANPC1SMN1; SMN2HTTALOX15
SCHEMBL6261356 0.77 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HTTALOX15

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-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed