SCHEMBL4582844

SCHEMBL4582844

Cc1nnc(Cl)c(-c2ccc(F)cc2Cl)c1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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
SCHEMBL3618362 0.81 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3610666 0.73 MAPT (0.37) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4610692 0.72 ALDH1A1 (0.37) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19021453 0.71 CNR1 (0.33) HSD11B1KDM4EALDH1A1MAPTPTGS2
SCHEMBL2455815 0.70 ALDH1A1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11707032 0.70 MAPT (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3608511 0.69 MAPT (0.35) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27712233 0.69 PTGER2 (0.41) KDM4ERAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4009765 0.68 KCNQ3 (0.34) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3263395 0.67 NPC1 (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed