SCHEMBL4584726

SCHEMBL4584726

Cc1n[nH]c(=O)c(-c2ccccc2Cl)c1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
PTGES O14684 1/20 0.40
PTGS2 P35354 1/20 0.39
DRD1 P21728 1/20 0.39
KMT2A Q03164 4/20 0.39
MAPK14 Q16539 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL4583927 0.87 TYMP (0.47) TYMPALDH1A1KDM4EHPGDHTT
SCHEMBL4583334 0.83 NOTUM (0.38) ALDH1A1KDM4EL3MBTL1HTTHSD17B10
SCHEMBL4608946 0.81 TYMP (0.46) TYMPALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL4582874 0.79 TYMP (0.38) TYMPALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2452085 0.78 TYMP (0.46) TYMPALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4600738 0.75 GABRA1 (0.40) TYMPALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3617725 0.74 TYMP (0.39) TYMPALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL19467743 0.73 DRD1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4582585 0.71 GNRHR (0.37) SMN1; SMN2L3MBTL1HPGDLMNAKMT2A
SCHEMBL4582481 0.69 NPSR1 (0.36) L3MBTL1HSD17B10DRD1KMT2APOLB

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