SCHEMBL9826232

SCHEMBL9826232

Cc1cc(OC(F)F)ccc1N=C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 7/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
ADAM17 P78536 1/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD1 P21728 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
SCHEMBL29874044 0.82 ALOX15 (0.40) CYP3A4LMNAKMT2AMEN1ALDH1A1
SCHEMBL21239547 0.82 ALOX15 (0.40) CYP3A4LMNAKMT2AMEN1ALDH1A1
SCHEMBL9826837 0.81 CYP3A4 (0.41) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL162798 0.80 CYP3A4 (0.51) CYP3A4TRPA1KMT2AMEN1ALDH1A1
SCHEMBL10695518 0.79 CYP3A4 (0.37) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10341831 0.77 CYP3A4 (0.43) CYP3A4TRPA1KMT2AMEN1ALDH1A1
SCHEMBL8564350 0.77 CYP3A4 (0.43) CYP3A4TRPA1LMNAKMT2AMEN1
SCHEMBL10341987 0.75 PDIA6 (0.47) CYP3A4TRPA1KMT2AMEN1ALDH1A1
SCHEMBL10038435 0.75 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10392671 0.75 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1

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
EP-0316734-B1 FURAZANYL UREAS BAYER AG (DE) 1991-07-03 EP disclosed
US-4886823-A Furazanylurea acaricides BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0316734-A2 Furazanyl ureas BAYER AG (DE) 1989-05-24 EP disclosed