SCHEMBL10458465

SCHEMBL10458465

O=C(NCC(=O)Oc1ccccc1)Nc1ccc(C=NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 4/20 0.49
RAD51 Q06609 1/20 0.47
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21753692 0.84 EPHX1 (0.52) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10633483 0.83 CA12 (0.57) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10456813 0.81 PPID (0.54) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10458387 0.80 CA12 (0.44) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10458697 0.79 MAPT (0.44) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10458695 0.79 MAPT (0.44) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10458422 0.79 NLRP3 (0.45) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10458464 0.78 POLB (0.50) KMT2ARAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10458661 0.78 PPID (0.40) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10457967 0.78 MEN1 (0.49) KMT2ARAB9AMAPTNPC1SMN1; 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
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4740611-A N,N'-disubstituted ureas THE STANDARD OIL COMPANY (US) 1988-04-26 US disclosed