SCHEMBL13985697

SCHEMBL13985697

Cc1ccc(OCC(=O)Nc2cccc(C)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.78
TP53 P04637 1/20 0.78
HIF1A Q16665 1/20 0.70
EPAS1 Q99814 1/20 0.70
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 2/20 0.68
HPGD P15428 2/20 0.66
MAPT P10636 3/20 0.65
NPC1 O15118 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TSHR P16473 1/20 0.65
RAB9A P51151 1/20 0.65
HTT P42858 2/20 0.64
P2RY14 Q15391 1/20 0.62
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL12218598 0.90 MEN1 (0.83) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL26311676 0.89 MAPK1 (0.78) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL13981322 0.88 MAPK1 (0.74) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL2555766 0.88 MAPK1 (0.74) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL15722876 0.87 KMT2A (0.74) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL7513074 0.86 KMT2A (0.75) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL2956553 0.86 HIF1A (0.93) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL17148022 0.85 HTT (0.80) MAPK1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL21631143 0.85 HIF1A (0.74) MAPK1SMN1; SMN2TP53HIF1AEPAS1
SCHEMBL21278783 0.85 MAPK1 (0.70) MAPK1SMN1; SMN2TP53HIF1AEPAS1

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
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed