Terephthalic Acid

Terephthalic Acid

SCHEMBL1389243

Nc1ccc(-c2ccc(N)c(N)c2)cc1N.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 3/20 0.57
GFER P55789 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
CDC25B P30305 1/20 0.50
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL28566580 0.98 KMT2A (0.58) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL29904702 0.98 KMT2A (0.58) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL9796871 0.98 KMT2A (0.58) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL28569284 0.94 KMT2A (0.54) KMT2AMEN1TDP1KDM4EGFER
Sulfur Dioxide SCHEMBL28576865 0.92 KMT2A (0.52) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL77186 0.84 CDC25B (0.61) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL29351778 0.84 CDC25B (0.61) KMT2AMEN1TDP1KDM4EGFER
SCHEMBL4824967 0.84 CDC25B (0.61) KMT2AMEN1TDP1KDM4EGFER
Hydrogen Peroxide SCHEMBL2904527 0.83 TDP1 (0.88) KMT2AMEN1TDP1KDM4EGFER
Hydrogen Peroxide SCHEMBL2904525 0.83 TDP1 (0.88) KMT2AMEN1TDP1KDM4EGFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197604-A1 MONOMER BEADS FOR PRODUCING A PROTON-CONDUCTING MEMBRANE BASF SE (DE) 2015-07-16 US disclosed
US-9011738-B2 Monomer beads for producing a proton-conducting membrane BASF SE (DE) 2015-04-21 US disclosed
US-20120007263-A1 MONOMER BEADS FOR PRODUCING A PROTON-CONDUCTING MEMBRANE BASF SE (DE) 2012-01-12 US disclosed