SCHEMBL22564560

SCHEMBL22564560

Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cc(C#N)c(-c4cc(C#N)cc(C(F)(F)F)c4)cc3-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 3/20 0.34
KIF11 P52732 4/20 0.33
AR P10275 1/20 0.33
MAT2A P31153 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GRM5 P41594 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL20617046 0.97 RXRA (0.37) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL22822145 0.94 RXRA (0.39) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL22822647 0.92 KIF11 (0.34) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL19903578 0.91 AR (0.36) TSHRSMN1; SMN2XDHKIF11AR
SCHEMBL22822158 0.90 AR (0.43) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL22564178 0.89 RXRA (0.36) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL22564471 0.89 RXRA (0.36) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL19912360 0.89 AR (0.36) TSHRSMN1; SMN2XDHAR
SCHEMBL22564564 0.88 KIF11 (0.41) TSHRSMN1; SMN2RXRARXRGXDH
SCHEMBL19909071 0.88 TSHR (0.36) TSHRSMN1; SMN2XDHKIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed