SCHEMBL8628648

SCHEMBL8628648

CCCCCCc1cnc(Cl)c(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
RARB P10826 1/20 0.42
KAT8 Q9H7Z6 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
FAAH O00519 2/20 0.39
GALK1 P51570 1/20 0.39
CES1 P23141 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL3255349 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL3849724 0.84 PDE4A (0.42) SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL2364705 0.83 KAT8 (0.52) SMN1; SMN2MAPTPPARAPPARGRARB
SCHEMBL31271554 0.79 CYP4F2 (0.45) SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL3252310 0.79 NFKB1 (0.53) SMN1; SMN2MAPTPPARAPPARGRARB
SCHEMBL345197 0.76 PARP1 (0.55) SMN1; SMN2MAPTPPARAPPARGRARB
SCHEMBL20476379 0.75 PPARA (0.57) SMN1; SMN2MAPTPPARAPPARGRARB
SCHEMBL1329013 0.74 MAPT (0.43) SMN1; SMN2MAPTKDM4EGALK1
SCHEMBL28773091 0.74 PPARA (0.58) MAPTPPARAPPARGRARBKAT8
SCHEMBL20178627 0.73 MAPT (0.61) SMN1; SMN2MAPTPPARAPPARGRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846684-A2 Process for producing 2-halo-nicotinic acid derivatives and precursors thereto REILLY INDUSTRIES, INC. (US) 1998-06-10 EP disclosed
US-5493028-A Processes for producing 2-Halo-nicotinic acid derivatives and precursors thereto REILLY INDUSTRIES, INC. (US) 1996-02-20 US disclosed
EP-0633880-A1 PROCESSES FOR PRODUCING 2-HALO-NICOTINIC ACID DERIVATIVES AND PRECURSORS THERETO REILLY INDUSTRIES, INC. (US) 1995-01-18 EP disclosed
WO-1993018005-A2 PROCESSES FOR PRODUCING 2-HALO-NICOTINIC ACID DERIVATIVES AND PRECURSORS THERETO REILLY INDUSTRIES, INC. (US) 1993-09-16 WO disclosed