SCHEMBL6770574

SCHEMBL6770574

CC(C)(C)c1ccc(-c2nc3ccncc3c(=O)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
ELANE P08246 1/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
XBP1 P17861 1/20 0.44
IKBKB O14920 2/20 0.44
NOTUM Q6P988 1/20 0.43
KIF11 P52732 2/20 0.42

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
SCHEMBL914211 0.82 ELANE (0.71) F2NPC1RAB9AELANEMAPT
SCHEMBL17554141 0.81 NPC1 (0.69) F2NPC1RAB9AELANEMAPT
SCHEMBL914337 0.75 APEX1 (0.53) NPC1RAB9AELANEMAPTALDH1A1
SCHEMBL6169453 0.74 RAB9A (0.65) NPC1RAB9AELANEMAPTALDH1A1
SCHEMBL15567401 0.73 PTGES (0.43) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6108114 0.72 HDAC6 (0.55) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1964870 0.71 ELANE (0.61) F2NPC1RAB9AELANEALDH1A1
SCHEMBL6171184 0.71 RAB9A (0.72) NPC1RAB9AELANEMAPTALDH1A1
SCHEMBL6170277 0.71 MEN1 (0.60) NPC1RAB9AELANEMAPTALDH1A1
SCHEMBL14462683 0.70 NPC1 (0.55) F2NPC1RAB9AELANEMAPT

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