SCHEMBL28022020

SCHEMBL28022020

NC(=O)c1ccc(C2NCCS2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 3/20 0.53
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.37
PARP10 Q53GL7 4/20 0.36
PARP15 Q460N3 2/20 0.36
PARP4 Q9UKK3 2/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP1 P09874 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL28022482 0.75 ERN1 (0.35) MAPTTDP1SMN1; SMN2ALDH1A1PARP10
SCHEMBL27885465 0.74 MAOA (0.55) ALDH1A1SENP8SENP6CYP2C9CYP2C19
SCHEMBL27525431 0.73 CYP2C9 (0.42) MAPTTDP1ALDH1A1SENP8SENP6
SCHEMBL2084173 0.70 MAPT (0.62) MAPTTDP1SMN1; SMN2ALDH1A1CA2
SCHEMBL8155209 0.69 MAPT (0.61) MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL4153725 0.69 MAPT (0.61) MAPTTDP1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL12470822 0.69 MAPT (0.56) MAPTTDP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2084131 0.69 MAPT (0.66) MAPTTDP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3333833 0.68 PARP1 (0.50) CYP2C9PARP10PARP1L3MBTL1PARP2
SCHEMBL1758181 0.67 CYP2C9 (0.55) CYP2C9PARP10PARP1PARP2

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
CN-104854092-A PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE 2015-08-19 CN claimed
CN-104854092-A PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE 2015-08-19 CN disclosed