SCHEMBL13618178

SCHEMBL13618178

Cc1cccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTPN5 P54829 2/20 0.44
ACHE P22303 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL822037 0.94 ACHE (0.48) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL822340 0.90 NFE2L2 (0.42) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27969124 0.86 TSHR (0.41) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12792076 0.85 ACHE (0.39) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9973083 0.83 TSHR (0.55) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16191149 0.82 PTPN5 (0.40) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9290946 0.81 ESR1 (0.48) KIF11PTPN5ACHENPSR1TSHR
Dimethylamine SCHEMBL9561223 0.81 KCNN4 (0.48) KIF11TSHRALDH1A1ESR1ESR2
SCHEMBL17788975 0.80 ESR1 (0.49) CYP2C19PTPN5ACHECNR1CNR2
SCHEMBL19751380 0.80 RAPGEF4 (0.36) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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-20190262780-A1 Composite Membranes FUJIFILM CORPORATION (JP) 2019-08-29 US disclosed
US-20090282982-A1 HOLLOW FIBER, DOPE COMPOSITION FOR FORMING HOLLOW FIBER, AND METHOD OF PREPARING HOLLOW FIBER USING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2009-11-19 US disclosed
US-20090282982-A1 HOLLOW FIBER, DOPE COMPOSITION FOR FORMING HOLLOW FIBER, AND METHOD OF PREPARING HOLLOW FIBER USING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2009-11-19 US disclosed