SCHEMBL11538846

SCHEMBL11538846

Oc1ccc2ccccc2c1C(c1ccc(C(F)(F)F)cc1)c1c(O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PTPN22 Q9Y2R2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
MDM2 Q00987 1/20 0.39
SLC6A4 P31645 1/20 0.39
CNR2 P34972 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
SCHEMBL9423470 0.82 AHR (0.52) AHRMEN1KMT2AMAPTLMNA
SCHEMBL9423648 0.82 MEN1 (0.56) AHRMEN1KMT2AMAPTLMNA
SCHEMBL30738449 0.82 MEN1 (0.56) AHRMEN1KMT2AMAPTLMNA
SCHEMBL11536604 0.80 AHR (0.50) AHRMEN1KMT2AMAPTLMNA
SCHEMBL11536163 0.80 AHR (0.53) AHRMEN1KMT2AMAPTLMNA
SCHEMBL17787304 0.80 MEN1 (0.58) AHRMEN1KMT2AMAPTLMNA
SCHEMBL11534689 0.80 AHR (0.50) AHRMEN1KMT2AMAPTLMNA
SCHEMBL11539885 0.80 AHR (0.53) AHRMEN1KMT2AMAPTLMNA
SCHEMBL11537513 0.78 NQO1 (0.54) AHRMEN1KMT2AMAPTLMNA
SCHEMBL9423782 0.77 AHR (0.48) AHRMEN1KMT2AMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US claimed
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US disclosed