SCHEMBL9618236

SCHEMBL9618236

CCCNc1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 2/20 0.45
NR4A2 P43354 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.41
CNR2 P34972 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
CXCR2 P25025 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL8176117 0.89 NR4A2 (0.54) MEN1KMT2AHTTNR4A2MAPT
SCHEMBL7533377 0.83 HTT (0.49) MEN1KMT2AHTTNR4A2MAPT
SCHEMBL3088415 0.83 MEN1 (0.50) MEN1KMT2AMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL3395899 0.82 MEN1 (0.48) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL24654554 0.80 MEN1 (0.41) MEN1KMT2AHTTNR4A2MAPT
SCHEMBL6414632 0.80 KMT2A (0.52) MEN1KMT2AMAPTMAPK1PKM
SCHEMBL18950681 0.80 CA12 (0.52) MEN1KMT2AMAPTIDO1LMNA
SCHEMBL18950695 0.79 MEN1 (0.43) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL1000493 0.79 MEN1 (0.53) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL29353825 0.79 MEN1 (0.53) MEN1KMT2AMAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4321647-A None JP disclosed
WO-2008024481-A2 3,4-DIHYDRO-2 (1H) - QUINOLINONE AND 2 (1H)-QUINOLINONE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-28 WO disclosed
JP-H04321647-A DICHLOROPHENYLPROPYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1992-11-11 JP disclosed