SCHEMBL171287

SCHEMBL171287

CCCCCCCCCCCCc1ccc(C2=CCCN(C(=O)OCc3ccccc3)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 3/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRCP P42785 1/20 0.39

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
SCHEMBL13490590 0.83 MEN1 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL171515 0.82 KDM1A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL13490575 0.81 MEN1 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13490572 0.81 P2RY12 (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13490589 0.80 MEN1 (0.42) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL14544111 0.79 GRIN2B (0.41) RAB9ASMN1; SMN2NPC1KDM4EMEN1
SCHEMBL169438 0.79 MEN1 (0.41) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL169428 0.79 GRM5 (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL171543 0.78 GRIN2B (0.42) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13592762 0.77 MEN1 (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed