SCHEMBL15801320

SCHEMBL15801320

Cc1cc(C)c(-c2c(C(F)(F)F)cc(N)cc2C(F)(F)F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
RAPGEF4 Q8WZA2 4/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.33
RAC1 P63000 1/20 0.33
PAK1 Q13153 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL16357060 0.92 TSHR (0.43) TSHRALDH1A1GAAGLAPOLB
SCHEMBL13990210 0.85 TSHR (0.45) TSHRALDH1A1GAAGLAPOLB
SCHEMBL1789561 0.82 TSHR (0.54) TSHRALDH1A1GAAGLAPOLB
SCHEMBL18272233 0.78 SMN1; SMN2 (0.40) TSHRALDH1A1GAAGLAPOLB
SCHEMBL25968206 0.76 AR (0.47) TSHRALDH1A1GAAGLAPOLB
SCHEMBL25968212 0.74 AR (0.46) TSHRALDH1A1GAAGLAPOLB
SCHEMBL9861917 0.74 KDM4E (0.42) TSHRALDH1A1GAAGLAPOLB
SCHEMBL15914665 0.73 TSHR (0.50) TSHRALDH1A1GAAGLAPOLB
SCHEMBL12816383 0.72 TSHR (0.45) TSHRALDH1A1GAAGLAPOLB
SCHEMBL16236972 0.71 TSHR (0.43) TSHRALDH1A1GAAGLAPOLB

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
US-20140171588-A1 COMPOSITION FOR FLEXIBLE SUBSTRATE AND FLEXIBLE SUBSTRATE FORMED FROM THE SAME CHI MEI CORPORATION (TW) 2014-06-19 US disclosed