SCHEMBL6769262

SCHEMBL6769262

Nc1ncccc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
ALOX15 P16050 2/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
HTT P42858 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KMT2A Q03164 2/20 0.57
PRKCI P41743 2/20 0.57
F10 P00742 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
BRD4 O60885 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
PTK2 Q05397 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 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
Hydrochloric Acid SCHEMBL3902353 0.99 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL5395436 0.86 SMN1; SMN2 (0.66) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL12857647 0.84 PRKCI (0.75) SMN1; SMN2RAB9ANPC1HTTKMT2A
SCHEMBL30338953 0.83 NPC1 (0.70) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL890674 0.83 NPC1 (0.70) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL3901503 0.81 GRM4 (0.60) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL6108569 0.81 RAB9A (0.63) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL6772756 0.80 GRM5 (0.62) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL27556949 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15RAB9ANPC1HTT
SCHEMBL2397278 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15RAB9ANPC1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105436-A1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors Bristol-Myers Squibb Company (US) 2009-09-30 EP disclosed
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
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed