SCHEMBL3072190

SCHEMBL3072190

Nc1cc(N)c(OC(=O)c2ccc(C(=O)O)cc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ POLA1 P09884 1/20 0.46
▸ ANTXR2 P58335 1/20 0.46
▸ ESR1 P03372 4/20 0.42
▸ ESR2 Q92731 4/20 0.42
▸ HTT P42858 2/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39

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
SCHEMBL6675054 0.93 PARP10 (0.47) POLBPOLA1ANTXR2ESR1ESR2
Terephthalic Acid SCHEMBL6674666 0.80 TSHR (0.55) POLBMAPTGAASMN1; SMN2ALOX15
SCHEMBL29051866 0.75 TSHR (0.40) POLBPOLA1ANTXR2ESR1ESR2
SCHEMBL27964247 0.74 HTT (0.44) POLBESR1ESR2HTTMAPT
SCHEMBL31536329 0.73 SMN1; SMN2 (0.47) POLBESR1ESR2MAPTGAA
SCHEMBL27686553 0.73 ESR1 (0.60) POLBPOLA1ANTXR2ESR1ESR2
SCHEMBL11193516 0.72 TSHR (0.67) POLBPOLA1ANTXR2ESR1ESR2
SCHEMBL10782892 0.71 MAPT (0.62) ESR1ESR2SERPINE1MAPTGAA
SCHEMBL27770400 0.70 KMT2A (0.57) POLBESR1ESR2HTTMAPT
SCHEMBL10784196 0.69 ESR1 (0.63) POLBPOLA1ANTXR2ESR1ESR2

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-20100222544-A1 POLYAZOLE FIBER AND PROCESS FOR THE PRODUCTION THEREOF TEIJIN LIMITED (JP) 2010-09-02 — — US disclosed
EP-1947222-A1 POLYAZOLE FIBER AND METHOD FOR PRODUCING SAME Teijin Limited (JP) 2008-07-23 — — EP disclosed
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