SCHEMBL9504653

SCHEMBL9504653

Cc1ccnc(C)c1C(=O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
DYRK1A Q13627 1/20 0.37
ASPH Q12797 2/20 0.37
KDM8 Q8N371 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A9 P48067 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL353204 0.98 KDM4E (0.40) KDM4EKMT2ACCR5L3MBTL1PDE10A
Hydrochloric Acid SCHEMBL4249059 0.96 KDM4E (0.39) KDM4EKMT2ACCR5L3MBTL1PDE10A
Hydrogen Peroxide SCHEMBL28248198 0.82 NTRK1 (0.48) KDM4EKMT2ACCR5TDP1ALDH1A1
SCHEMBL29089331 0.82 NTRK1 (0.44) CCR5TDP1SLC6A9CCR1CCR8
SCHEMBL6628045 0.81 CSNK1A1 (0.38) KDM4EKMT2ACCR5ALDH1A1SMN1; SMN2
SCHEMBL31662998 0.81 CSNK1A1 (0.38) KDM4EKMT2ACCR5ALDH1A1SMN1; SMN2
SCHEMBL9684174 0.79 KDM4E (0.50) KDM4EKMT2ACCR5L3MBTL1TDP1
SCHEMBL161321 0.79 SIRT3 (0.46) CCR5TDP1SLC6A9CCR1CCR8
SCHEMBL411769 0.79 ITGB1 (0.36) CCR5TDP1ALDH1A1ITGB1ITGA4
SCHEMBL7612137 0.79 L3MBTL1 (0.38) KDM4EKMT2ACCR5L3MBTL1PDE10A

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