SCHEMBL9504678

SCHEMBL9504678

Cc1ccncc1C(=O)O.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.66
▸ SIRT3 Q9NTG7 1/20 0.66
▸ KDM4C Q9H3R0 13/20 0.52
▸ KDM6B O15054 6/20 0.52
▸ KDM4D Q6B0I6 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ KDM4A O75164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44

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
SCHEMBL258230 0.98 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL29571308 0.98 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BKDM4D
Hydrochloric Acid SCHEMBL1536025 0.96 TDP1 (0.66) TDP1SIRT3KDM4CKDM6BKDM4D
Trifluoroacetic Acid SCHEMBL5015284 0.87 TDP1 (0.56) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL8687513 0.86 TDP1 (0.54) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL29496054 0.81 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL115797 0.81 KDM4C (0.59) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL30281300 0.81 KDM4C (0.59) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL3100795 0.81 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BKDM4D
SCHEMBL19857493 0.80 KDM4C (0.63) TDP1SIRT3KDM4CKDM6BKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 — — EP claimed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 — — US claimed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 — — EP claimed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 — — US disclosed
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