SCHEMBL9544841

SCHEMBL9544841

O=C1C=C(NCc2ccccc2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
APEX1 P27695 1/20 0.56
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
MT-CO2 P00403 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
PLEC Q15149 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL12869192 0.91 POLB (0.83) POLBKMT2AMEN1APEX1MAPT
SCHEMBL8321902 0.89 POLB (0.81) POLBKMT2AMEN1APEX1MAPT
SCHEMBL9999989 0.83 POLB (0.71) POLBKMT2AMEN1APEX1ALDH1A1
SCHEMBL20305540 0.78 POLB (0.64) POLBKMT2AMEN1APEX1MAPT
SCHEMBL7285810 0.78 POLB (0.63) POLBKMT2AMEN1APEX1MAPT
SCHEMBL12869177 0.75 POLB (0.61) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL20321153 0.75 POLB (0.59) POLBKMT2AMEN1APEX1MAPT
SCHEMBL2893384 0.74 POLB (0.58) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL2033213 0.73 MT-CO2 (0.69) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL6248215 0.73 POLB (0.57) POLBKMT2AMEN1APEX1MAPT

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
JP-5051317-A None JP disclosed
JP-H0551317-A MEDICINE FOR IMPROVEMENT OF BRAIN FUNCTION NIKKEN CHEM CO LTD 1993-03-02 JP disclosed