SCHEMBL5287640

SCHEMBL5287640

COC(=O)CC1(c2ccccc2)N=NN=N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
AKT1 P31749 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
SCHEMBL5291028 0.80 PKM (0.47) KMT2AALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL5282389 0.79 ALDH1A1 (0.53) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL27922939 0.76 POLB (0.39) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL2255789 0.73 PNMT (0.42) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL5282555 0.73 LMNA (0.49) KMT2AALDH1A1HTTMAPK1MAPT
SCHEMBL27547241 0.71 MEN1 (0.41) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL10769337 0.71 PKM (0.31) KMT2A
SCHEMBL20926920 0.70 GAA (0.42) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL12303003 0.69 PNMT (0.38) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL11316708 0.69 MEN1 (0.40) POLBMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed