SCHEMBL4009765

SCHEMBL4009765

Cc1nnc(F)c(-c2ccc(F)c(F)c2F)c1-c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KDM4E B2RXH2 8/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 2/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 4/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3608511 0.78 MAPT (0.35) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6422107 0.74 ERN1 (0.39) KCNQ3KCNQ2KDM4ERAB9AALDH1A1
SCHEMBL3610666 0.73 MAPT (0.37) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4582844 0.68 HSD11B1 (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1GABRG2
SCHEMBL3618362 0.68 KDM4E (0.36) KDM4ERAB9ASMN1; SMN2ALDH1A1GABRG2
SCHEMBL21503917 0.66 MAPT (0.43) KDM4ERAB9AALDH1A1HSD17B10TSHR
SCHEMBL3618629 0.66 RPS6KB2 (0.36) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3611240 0.65 NPC1 (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2455815 0.65 ALDH1A1 (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6744117 0.64 MAPT (0.44) KDM4ERAB9AALDH1A1HSD17B10NPC1

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
EP-2041113-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-01 EP disclosed
WO-2008009406-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO disclosed