SCHEMBL21753692

SCHEMBL21753692

O=C(NCC(=O)Oc1ccccc1)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 1/20 0.50
FPR2 P25090 1/20 0.48
P2RX7 Q99572 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10458464 0.87 POLB (0.50) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL7375204 0.87 MAPK1 (0.58) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL4631479 0.85 ROCK2 (0.62) SMN1; SMN2LMNAHTTPOLB
SCHEMBL10458465 0.84 KMT2A (0.49) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL5352692 0.83 LMNA (0.65) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL10458695 0.83 MAPT (0.44) SMN1; SMN2TSHRNPC1RAB9ALMNA
SCHEMBL10458697 0.83 MAPT (0.44) SMN1; SMN2TSHRNPC1RAB9ALMNA
SCHEMBL9131435 0.80 CYP19A1 (0.47) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL6243396 0.79 CYP19A1 (0.46) SMN1; SMN2TP53NPC1RAB9ALMNA
SCHEMBL12568577 0.79 CYP19A1 (0.46) TSHRLMNAALDH1A1HTTPOLB

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