SCHEMBL9296366

SCHEMBL9296366

O=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2nc3ccccc3s2)c(-c2nc3ccccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 10/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RXFP1 Q9HBX9 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL29190830 0.90 MAPT (0.68) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL28159221 0.88 MAPT (0.66) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL9296572 0.88 KDM4E (0.57) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL29478093 0.87 MAPT (0.61) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL28385011 0.87 MAPT (0.61) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL4712947 0.87 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL21682173 0.84 KDM4E (0.54) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL505728 0.80 KDM4E (0.69) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL29466280 0.79 KDM4E (0.68) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL3729071 0.79 KDM4E (0.68) KDM4ESMN1; SMN2MEN1KMT2APOLB

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-5344896-A Alkylsulfonate-containing polymers from tetraaminobenzene and benzothiazole-substituted terephthalic acids THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1994-09-06 US disclosed
US-5312876-A Copolybenzobisthiazoles and benzobisoxazoles with benzimidazoles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1994-05-17 US disclosed