SCHEMBL6845540

SCHEMBL6845540

Bc1cnc(Cl)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ASPH Q12797 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM8 Q8N371 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
DAO P14920 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35

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
SCHEMBL14549152 0.82 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKDM4EALDH1A1TSHR
SCHEMBL29378297 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKEAP1NFE2L2ASPH
SCHEMBL915781 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKEAP1NFE2L2ASPH
SCHEMBL8272694 0.78 TSHR (0.41) SMN1; SMN2LMNAKDM4EALDH1A1TSHR
SCHEMBL353523 0.78 KDM4E (0.44) SMN1; SMN2LMNAASPHKDM4EKDM8
Hydrochloric Acid SCHEMBL6988496 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKEAP1NFE2L2ASPH
SCHEMBL3517645 0.78 HCAR2 (0.48) SMN1; SMN2LMNAKEAP1NFE2L2KDM4E
SCHEMBL4719997 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKEAP1NFE2L2ASPH
SCHEMBL290570 0.76 KEAP1 (0.53) SMN1; SMN2LMNAKEAP1NFE2L2ASPH
SCHEMBL12183992 0.76 NAPRT (0.46) SMN1; SMN2LMNAASPHKDM4EKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-1899334-B1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed