SCHEMBL5269280

SCHEMBL5269280

CCOCC(=O)Nc1c[nH]nc1C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 6/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 10/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 3/20 0.46
NAMPT P43490 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5267582 0.84 LMNA (0.56) ALDH1A1RAB9ASMN1; SMN2HSD17B10KMT2A
SCHEMBL5265290 0.83 KDM4E (0.46) CYP1A2CYP2C9CYP2C19KDM4EPOLB
SCHEMBL5269503 0.82 RAB9A (0.61) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL5267186 0.81 NAPRT (0.51) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL5270659 0.81 KDM4E (0.44) CYP1A2CYP2C9CYP2C19KDM4EPOLB
SCHEMBL5272569 0.80 MAPT (0.58) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL13816814 0.80 FLT3 (0.49) POLBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL3667956 0.79 KMT2A (0.69) CYP1A2CYP2C9CYP2C19KDM4EPOLB
SCHEMBL5265834 0.79 SIRT1 (0.53) KDM4EPOLBRAB9AKMT2AMEN1
SCHEMBL5271885 0.78 MAPT (0.55) KDM4EALDH1A1SMN1; SMN2HSD17B10KMT2A

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