SCHEMBL6987265

SCHEMBL6987265

CCOc1cc(CCNC(=O)C(F)(F)F)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MEN1 O00255 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1968355 0.91 CA12 (0.66) KMT2ACA12CA1CA2CA9
SCHEMBL21579855 0.86 POLB (0.65) KMT2ALMNACA12CA1CA2
SCHEMBL9520757 0.85 NPC1 (0.48) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL27439284 0.84 CA12 (0.60) KMT2ALMNACA12CA1CA2
SCHEMBL5073509 0.83 MTNR1A (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL16416372 0.82 CA12 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL9689182 0.82 CA12 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL5913864 0.82 CA12 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL9786087 0.81 CA12 (0.50) LMNACA12CA1CA2CA9
SCHEMBL7271744 0.81 CA12 (0.50) KMT2ACA12CA1CA2CA9

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
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed