SCHEMBL7787498

SCHEMBL7787498

COc1cc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc(N)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
FYN P06241 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL7784893 0.92 ALDH1A1 (0.34) CA1CA2ACHEKMT2AMAPT
SCHEMBL7785112 0.87 KMT2A (0.44) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7784922 0.83 ALDH1A1 (0.36) CA1CA2ACHEKMT2AMAPT
SCHEMBL7785657 0.83 SMN1; SMN2 (0.37) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7780363 0.78 CA1 (0.34) CA1CA2ACHEKMT2AMAPT
SCHEMBL7785072 0.77 ALDH1A1 (0.38) CA1CA2ACHEKMT2AMAPT
SCHEMBL7795386 0.77 CXCR2 (0.39) KMT2AMAPTSMN1; SMN2MEN1KDM4E
SCHEMBL7785523 0.75 MAPT (0.40) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7780384 0.75 CXCR2 (0.33)
SCHEMBL7780785 0.74 TDP1 (0.43) CA1CA2ACHEKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed