SCHEMBL4745756

SCHEMBL4745756

O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.71
NR1H4 Q96RI1 1/20 0.71
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CA12 O43570 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
EPHX1 P07099 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
HPSE Q9Y251 1/20 0.59

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
Urea SCHEMBL4746502 0.93 EPHX2 (0.65) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL1019968 0.93 EPHX2 (0.74) EPHX2NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL4922979 0.89 MITF (0.76) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL7883674 0.89 MAPT (0.76) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL28513066 0.89 EPHX2 (0.59) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL28742998 0.87 EPHX2 (0.58) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL607731 0.87 EPHX2 (0.58) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL3885202 0.87 EPHX2 (0.62) EPHX2NR1H4MEN1KMT2ACA12
SCHEMBL19501650 0.86 SIRT1 (0.82) EPHX2NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL9555249 0.85 ALDH1A1 (0.61) EPHX2NR1H4MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114388197-A Preparation and application of polyester and transparent conductive film based on p-aminobenzoic acid derivative 武汉科技大学 2022-04-22 CN claimed
CN-114388197-A Preparation and application of polyester and transparent conductive film based on p-aminobenzoic acid derivative 武汉科技大学 2022-04-22 CN disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-4786706-A FIBERS, FILMS AND MOLDINGS BASF AKTIENGESELLSCHAFT (DE) 1988-11-22 US disclosed
US-4762907-A Wholly aromatic polyester carbamides and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0006123-B1 A PTERIDINE DERIVATIVE AND A PROCESS FOR THE PREPARATION OF 10-DEAZAAMINOPTERIN AND ITS DERIVATIVES FROM THE PTERIDINE DERIVATIVE Southern Research Institute (US) 1985-01-16 EP disclosed
US-4473681-A Polyester urea capable of forming an anisotropic melt phase CELANESE CORPORATION (US) 1984-09-25 US disclosed
EP-0006123-A1 A pteridine derivative and a process for the preparation of 10-deazaaminopterin and its derivatives from the pteridine derivative Southern Research Institute (US) 1980-01-09 EP disclosed
US-4172200-A MULTISTEP FROM 6-BROMOMETHYL-2,4-PTERIDINEDIAMINE HYDROBROMIDE SOUTHERN RESEARCH INSTITUTE (US) 1979-10-23 US disclosed