SCHEMBL7785657

SCHEMBL7785657

COc1cc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
KMT2A Q03164 2/20 0.36
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35

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
SCHEMBL7785523 0.93 MAPT (0.40) SMN1; SMN2PGRARABCB1ABCC1
SCHEMBL7785272 0.88 KMT2A (0.41) SMN1; SMN2PGRARABCB1KMT2A
SCHEMBL7789422 0.83 ABCB1 (0.40) SMN1; SMN2PGRARABCB1ABCC1
SCHEMBL7787498 0.83 CA1 (0.34) SMN1; SMN2ABCB1ABCC1KMT2ATUBB4A
SCHEMBL7785512 0.81 ALDH1A1 (0.41) SMN1; SMN2KMT2AGAAPKMALDH1A1
SCHEMBL7780524 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AALDH1A1TDP1HSPB1
SCHEMBL7785173 0.78 ALDH1A1 (0.45) SMN1; SMN2KMT2AGAAALDH1A1TDP1
SCHEMBL7795386 0.76 CXCR2 (0.39) SMN1; SMN2KMT2AGAAALDH1A1MAPT
SCHEMBL7785104 0.76 GAA (0.46) SMN1; SMN2KMT2AGAAALDH1A1TDP1
SCHEMBL7784893 0.75 ALDH1A1 (0.34) SMN1; SMN2KMT2ATUBB4ATUBBTUBA3C

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