SCHEMBL6675054

SCHEMBL6675054

Nc1cc(N)c(OC(=O)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 6/20 0.47
▸ PARP15 Q460N3 2/20 0.47
▸ SRD5A2 P31213 4/20 0.43
▸ TTR P02766 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ POLA1 P09884 1/20 0.41
▸ ANTXR2 P58335 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ PARP16 Q8N5Y8 1/20 0.38

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
SCHEMBL3072190 0.93 POLB (0.46) TTRPOLBPOLA1ANTXR2NR1H4
SCHEMBL7654088 0.77 PARP10 (0.58) PARP10PARP15SRD5A2TTRPOLB
SCHEMBL9251374 0.77 PARP10 (0.58) PARP10PARP15SRD5A2TTRPOLB
Terephthalic Acid SCHEMBL6674666 0.75 TSHR (0.55) SRD5A2POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15251130 0.73 PARP10 (0.49) PARP10NR1H4ESR1ESR2ALDH1A1
SCHEMBL11024128 0.72 CA1 (0.57) PARP10PARP15SRD5A2ESR1ESR2
SCHEMBL11336474 0.72 TTR (0.56) PARP10PARP15SRD5A2TTRRXRA
SCHEMBL27964247 0.71 HTT (0.44) TTRPOLBL3MBTL1ESR1ESR2
SCHEMBL11766716 0.71 RXRA (0.50) PARP10PARP15SRD5A2TTRPOLB
SCHEMBL766069 0.71 PARP10 (0.78) PARP10PARP15SRD5A2POLBRXRA

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
EP-0805173-B1 Method for production of polybenzazole TOYO BOSEKI (JP) 2004-10-27 — — EP disclosed
US-5919890-A OLIGOMERIZATION TOYO BOSEKI KABUSHIKI KAISHA (JP) 1999-07-06 — — US disclosed
EP-0805173-A1 Method for production of polybenzazole Toyo Boseki Kabushiki Kaisha (JP) 1997-11-05 — — EP disclosed
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