SCHEMBL9973017

SCHEMBL9973017

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5OC)OC(c5ccccc5)(c5ccc(N6CCOCC6)cc5)C=C8)C(C)(C)c5c-7cc(C(F)(F)F)cc5C(F)(F)F)c(C)c4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.34
BRAF P15056 13/20 0.34
MAPK14 Q16539 1/20 0.34
BTK Q06187 1/20 0.33
FGFR1 P11362 2/20 0.33
DDR2 Q16832 2/20 0.33
MTTP P55157 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL12553429 0.96 BRAF (0.33) RAF1BRAFMAPK14BTKFGFR1
SCHEMBL15214826 0.96 MAPK14 (0.34) RAF1BRAFMAPK14BTKFGFR1
SCHEMBL9973065 0.95 RAF1 (0.35) RAF1BRAFMAPK14BTKFGFR1
SCHEMBL1964852 0.94 BRAF (0.34) RAF1BRAFMAPK14MTTPTP53
SCHEMBL1960109 0.93 MTTP (0.33) RAF1BRAFMTTP
SCHEMBL15214844 0.93 MTTP (0.33) RAF1BRAFMTTP
SCHEMBL12553436 0.93 RAF1 (0.33) RAF1BRAFMAPK14BTKFGFR1
SCHEMBL15214872 0.93 GBA1 (0.32)
SCHEMBL12553434 0.92 MAPT (0.33) RAF1BRAFMAPK14BTKMTTP
SCHEMBL1962292 0.92 RAF1 (0.32) RAF1BRAFMTTPTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed