SCHEMBL9504596

SCHEMBL9504596

Cc1cccnc1C(=O)O.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
AGER Q15109 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MYC P01106 2/20 0.56
CYP1A2 P05177 1/20 0.52
NAPRT Q6XQN6 3/20 0.47
LMNA P02545 3/20 0.47
P4HTM Q9NXG6 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL29564333 0.98 KDM4E (0.61) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL130171 0.98 KDM4E (0.61) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Potassium SCHEMBL5919173 0.96 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL2270391 0.96 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL6586976 0.96 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL5955807 0.96 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL18043964 0.83 BRD4 (0.57) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL16694453 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL2240328 0.83 L3MBTL1 (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL698990 0.81 KDM4E (0.52) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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 6 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
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP disclosed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 US disclosed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP disclosed