SCHEMBL1937895

SCHEMBL1937895

CCNC(F)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.53
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
PTPN1 P18031 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 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
SCHEMBL1937529 0.78 KCNN4 (0.48) KCNN4ALDH1A1TSHRKIF11LMNA
SCHEMBL1414621 0.72 ALDH1A1 (0.41) KCNN4ALDH1A1TSHRKDM4EMAPT
SCHEMBL9784343 0.70 MAPT (0.39) KCNN4ALDH1A1TSHRTAAR1MAPT
SCHEMBL11805262 0.70 KCNN4 (0.67) KCNN4ALDH1A1TSHRKIF11TAAR1
SCHEMBL3326124 0.70 KCNN4 (0.67) KCNN4ALDH1A1TSHRKIF11TAAR1
SCHEMBL2490805 0.70 KCNN4 (1.00) KCNN4ALDH1A1TSHRKIF11TAAR1
SCHEMBL13127650 0.69 ALDH1A1 (0.42) KCNN4ALDH1A1TSHRTAAR1RORC
SCHEMBL469181 0.69 KCNN4 (0.64) KCNN4ALDH1A1KIF11TAAR1NR3C2
SCHEMBL28798433 0.69 KCNN4 (0.64) KCNN4ALDH1A1KIF11TAAR1LMNA
Hydrochloric Acid SCHEMBL9957339 0.67 KCNN4 (0.61) KCNN4ALDH1A1KIF11TAAR1NR3C2

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-2331620-A1 CURABLE COMPOSITION AND MOLDED ARTICLE MADE OF SAME Daikin Industries, Ltd. (JP) 2011-06-15 EP disclosed