SCHEMBL20723591

SCHEMBL20723591

O=P(O)(O)N=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
EPHX1 P07099 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
CDK9 P50750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CYP3A4 P08684 1/20 0.46
TAS2R38 P59533 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL9745549 0.81 MAPT (0.67) ALDH1A1HSD17B10SMN1; SMN2TP53TSHR
SCHEMBL9745568 0.81 MAPT (0.67) ALDH1A1HSD17B10SMN1; SMN2TP53TSHR
SCHEMBL871606 0.70 TAS2R38 (0.50) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
SCHEMBL27590292 0.70 TP53 (0.56) PTPN1HSD17B10EPHX1SMN1; SMN2TP53
Phosphoric Acid SCHEMBL28089172 0.70 TP53 (0.50) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
SCHEMBL28258463 0.69 TAS2R38 (0.50) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
SCHEMBL11184467 0.69 TAS2R38 (0.50) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
SCHEMBL16139552 0.68 EPHX2 (0.54) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
SCHEMBL14334383 0.68 TP53 (0.48) PTPN1ALDH1A1HSD17B10EPHX1SMN1; SMN2
N-Phenylbenzamide SCHEMBL1955809 0.68 SIRT1 (0.74) PTPN1SMN1; SMN2HDAC2HDAC8HDAC6

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-2019032472-A1 HIGH AFFINITY ENGINEERED MATRIPTASE INHIBITOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-14 WO disclosed