SCHEMBL8701287

SCHEMBL8701287

Cc1ccc(C(=O)OCc2cc(-n3nnnc3C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSP90AA1 P07900 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
TACR1 P25103 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL8705898 0.76 NOTUM (0.48) NOTUMMAPTALDH1A1HSP90AA1HPGD
SCHEMBL7517331 0.74 TACR1 (0.54) TACR1
SCHEMBL8327571 0.74 NOTUM (0.48) NOTUMMAPTALDH1A1HSP90AA1HPGD
SCHEMBL1973007 0.72 ALDH1A1 (0.61) MAPTALDH1A1HSP90AA1HPGDHTT
SCHEMBL5551503 0.71 ALDH1A1 (0.70) NOTUMMAPTALDH1A1HSP90AA1HPGD
SCHEMBL8326571 0.70 LMNA (0.50) MAPTALDH1A1HSP90AA1HPGDHTT
SCHEMBL8328197 0.70 MAPT (0.50) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL8327843 0.69 NOS1 (0.41) MAPTALDH1A1HSP90AA1HPGDHTT
SCHEMBL905349 0.69 TACR1 (0.49) TACR1
SCHEMBL12513443 0.68 TSHR (0.48) MAPTALDH1A1HSP90AA1HPGDHTT

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-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed