SCHEMBL9988367

SCHEMBL9988367

Cc1ccc(N2CCN(C)CC2)c(CN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 2/20 0.44
HTR3A P46098 2/20 0.44
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRB2 P07550 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL16793166 0.85 NCF1 (0.46) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL12072936 0.85 HTR1A (0.51) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL5740977 0.83 HTR1A (0.44) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL13547748 0.83 ALDH1A1 (0.45) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL27876384 0.82 NCF1 (0.55) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL29310423 0.81 HTR1A (0.43) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL27372168 0.81 HTR1A (0.43) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL24123988 0.80 ADRB2 (0.48) NCF1MAPTKDM4EALDH1A1POLB
SCHEMBL8710759 0.77 ALDH1A1 (0.67) MAPTKDM4EALDH1A1POLBRAD52
SCHEMBL29505669 0.77 NCF1 (0.87) NCF1MAPTKDM4EHTR1AGAA

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-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed