SCHEMBL28020587

SCHEMBL28020587

CCN(C)C(=O)c1ccccc1-c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
CNR2 P34972 1/20 0.43
PTGS2 P35354 1/20 0.42
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KEAP1 Q14145 1/20 0.38
AR P10275 2/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL30437926 0.77 NPC1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL747828 0.77 NPC1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28026247 0.77 TSHR (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8696618 0.76 KMT2A (0.71) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5106250 0.76 RAB9A (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6257294 0.75 BCAT2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31531876 0.75 BCAT2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31038175 0.73 CNR2 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22230584 0.72 RAB9A (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31038178 0.71 RAB9A (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
CN-104693355-A Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer and synthesis method thereof CHI MEI CORP 2015-06-10 CN disclosed