SCHEMBL27967415

SCHEMBL27967415

CC(C)(C)C(=O)On1cccc1-c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 4/20 0.44
PAX8 Q06710 1/20 0.43
F2RL3 Q96RI0 5/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
P2RY6 Q15077 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL425218 0.76 PAX8 (0.51) TP53MAPTPAX8F2RL3TNF
SCHEMBL27967549 0.73 SLC16A3 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL27967560 0.69
SCHEMBL27967473 0.68 FGFR3 (0.33) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL11985493 0.67 MAPT (0.71) TP53MAPTTNFNOD1NPC1
SCHEMBL421740 0.67 PAX8 (0.49) TP53MAPTPAX8F2RL3TNF
SCHEMBL27910767 0.67 ASIC3 (0.37) ALDH1A1
SCHEMBL827403 0.65 RAB9A (0.67) TP53MAPTPAX8TNFNOD1
SCHEMBL13077892 0.64 ALDH1A1 (0.65) TP53MAPTNPC1RAB9AALDH1A1
Hydrogen Sulfide SCHEMBL16859912 0.63 RAB9A (0.64) TP53MAPTPAX8TNFNOD1

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-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN disclosed