SCHEMBL4651844

SCHEMBL4651844

CCCCC(CC)COc1sc(C(=O)Nc2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.46
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 1/20 0.46
PLK3 Q9H4B4 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PTPN1 P18031 1/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL4651842 0.85 MAPT (0.48) PLK1ALDH1A1CA2CYP3A4PLK3
SCHEMBL4652909 0.85 ALDH1A1 (0.51) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL4651959 0.85 PLK1 (0.61) PLK1ALDH1A1PLK3LMNAMEN1
SCHEMBL4650949 0.85 PLK1 (0.61) PLK1ALDH1A1PLK3LMNAMEN1
SCHEMBL4651952 0.85 PLK1 (0.61) PLK1ALDH1A1PLK3LMNAMEN1
SCHEMBL128501 0.72 ALDH1A1 (0.62) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL31750409 0.72 ALDH1A1 (0.62) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL31751235 0.72 ALDH1A1 (0.62) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL30343699 0.72 ALDH1A1 (0.62) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL4651954 0.71 PLK1 (0.60) PLK1ALDH1A1PLK3LMNAMEN1

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-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed