SCHEMBL3486847

SCHEMBL3486847

Cn1cccc1C(=O)OC(=O)c1cc2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
SLC9A1 P19634 1/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DAO P14920 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3486848 0.82 MCL1 (0.79) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL27323248 0.79 MCL1 (0.59) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL29834903 0.79 L3MBTL1 (0.67) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL4486403 0.79 L3MBTL1 (0.67) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL8616489 0.78 MCL1 (0.53) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL28868200 0.77 MCL1 (0.65) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL27532577 0.76 MCL1 (0.55) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL17995256 0.75 MCL1 (0.61) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL1092502 0.75 KDM4E (0.62) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL16599480 0.74 MCL1 (0.76) MCL1SLC9A1MAPTMEN1KMT2A

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
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO disclosed