SCHEMBL21753699

SCHEMBL21753699

O=C(Nc1ccccc1)Nc1ccc(C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.57
GRIK1 P39086 3/20 0.56
CNR1 P21554 3/20 0.55
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL24578209 0.86 HDAC7 (0.60) MGLLCNR1TP53EPHX1TSHR
SCHEMBL24579667 0.85 KMT2A (0.64) MGLLCNR1TP53EPHX1TSHR
SCHEMBL11791029 0.81 PLAU (0.44) GRIK1TP53TSHRKMT2ACYP3A4
SCHEMBL23292687 0.81 CNR1 (0.62) MGLLCNR1TP53EPHX1TSHR
SCHEMBL1129597 0.80 KMT2A (0.69) GRIK1TP53EPHX1TSHREPHX2
SCHEMBL28155745 0.80 PTPN1 (0.45) GRIK1TP53KMT2ACYP3A4CYP2C9
SCHEMBL5359926 0.77 SMN1; SMN2 (0.77) MGLLCNR1TP53EPHX1TSHR
SCHEMBL11059378 0.76 SMN1; SMN2 (0.94) TP53EPHX1TSHREPHX2CDK9
SCHEMBL10583359 0.75 SMN1; SMN2 (0.57) MGLLGRIK1TP53EPHX1TSHR
SCHEMBL10334618 0.75 ACMSD (0.62) KMT2A

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