SCHEMBL2821153

SCHEMBL2821153

COc1cnc(-c2ccccn2)nc1Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
L3MBTL1 Q9Y468 7/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
MITF O75030 1/20 0.57
KMT2A Q03164 5/20 0.53
PPP1CA P62136 4/20 0.53
METAP1 P53582 1/20 0.52
MEN1 O00255 4/20 0.49
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2821547 0.85 TRPM8 (0.60) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2822086 0.85 TRPM8 (0.62) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2820941 0.85 TRPM8 (0.68) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2821539 0.83 TRPM8 (0.60) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2820216 0.83 TRPM8 (0.60) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2821677 0.82 TRPM8 (0.59) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
Hydrochloric Acid SCHEMBL2821559 0.82 TRPM8 (0.59) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2824129 0.79 TRPM8 (0.53) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL2820977 0.79 MAPT (0.57) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT
Hydrochloric Acid SCHEMBL2824980 0.79 TRPM8 (0.52) TRPM8SMN1; SMN2L3MBTL1LMNAMAPT

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-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP claimed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US claimed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed