SCHEMBL4584403

SCHEMBL4584403

Cc1nnc(Cl)c(-c2ccccc2Cl)c1-c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
HPGD P15428 7/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL4610692 0.77 ALDH1A1 (0.37) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4583334 0.77 NOTUM (0.38) ALDH1A1KDM4EHSD17B10LMNAL3MBTL1
SCHEMBL19021453 0.76 CNR1 (0.33) HSD11B1ALDH1A1KDM4ELMNAMAPT
SCHEMBL16996751 0.73 GABRP (0.33) RAB9AALDH1A1HSD17B10MAPTPOLB
SCHEMBL3614591 0.73 GABRP (0.33) RAB9AALDH1A1HSD17B10MAPTPOLB
SCHEMBL4146931 0.67 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13069099 0.66 NPC1 (0.50) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4582481 0.65 NPSR1 (0.36) HSD17B10L3MBTL1CYP2A6KMT2APOLB
SCHEMBL4582585 0.64 GNRHR (0.37) HPGDSMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL2872108 0.63 MAOB (0.51) HSD11B1HPGDNPC1RAB9ASMN1; SMN2

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