SCHEMBL5265290

SCHEMBL5265290

CCOCC(=O)Nc1c[nH]nc1C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 12/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5270659 0.86 KDM4E (0.44) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5269280 0.83 CYP1A2 (0.58) KDM4EPOLBHSD17B10ALDH1A1CYP1A2
SCHEMBL5271386 0.81 ALDH1A1 (0.46) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5267166 0.79 NPC1 (0.52) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL5269503 0.78 RAB9A (0.61) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5269814 0.78 LMNA (0.49) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5270376 0.76 TSHR (0.50) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL13816862 0.76 YTHDC1 (0.41) KDM4EPOLBHPGDTSHRSMN1; SMN2
SCHEMBL5273437 0.76 KDM4E (0.44) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5268734 0.75 KDM4E (0.51) KDM4EPOLBALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed