SCHEMBL21753682

SCHEMBL21753682

O=C(Nc1ccccc1)Nc1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX12 P18054 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
KDM4E B2RXH2 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
GRIK1 P39086 2/20 0.55
DHODH Q02127 1/20 0.55
MAOA P21397 1/20 0.53

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
SCHEMBL31580808 0.86 KDM4E (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL1462332 0.86 KDM4E (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL7928902 0.83 CXCR2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL29776946 0.81 CA12 (0.70) CYP2C9SMN1; SMN2TP53EPHX1TSHR
SCHEMBL21810514 0.80 SMN1; SMN2 (0.81) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL20420660 0.79 TP53 (0.55) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL4749159 0.78 DHODH (0.69) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL21753713 0.78 KDM4E (0.57) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL7096713 0.77 TP53 (0.68) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8492558 0.77 MAOA (0.62) SMN1; SMN2TP53EPHX1TSHREPHX2

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
WO-2020039601-A1 OIL-IN-WATER TYPE EMULSION OF ACTINIC-RAY-CURABLE RESIN COMPOSITION, AND THERMAL RECORDING MATERIAL 日本化薬株式会社 2020-02-27 WO disclosed