SCHEMBL13931978

SCHEMBL13931978

Cc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
TSHR P16473 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL13162768 0.86 CA12 (0.45) MAPTALDH1A1MAPK1KCNQ3KCNQ2
SCHEMBL2104690 0.84 RORC (0.48) MAPTALDH1A1KCNQ3KCNQ2TAS1R3
SCHEMBL13163319 0.84 ALDH1A1 (0.42) MAPTALDH1A1MAPK1KCNQ3KCNQ2
SCHEMBL2617353 0.82 KCNQ3 (0.37) MAPTALDH1A1MAPK1KCNQ3KCNQ2
SCHEMBL14531483 0.82 RORC (0.43) MAPTALDH1A1MAPK1KCNQ3KCNQ2
SCHEMBL2104930 0.81 XDH (0.49) ALDH1A1
SCHEMBL2544970 0.80 CA12 (0.56) MAPTALDH1A1MAPK1TAS1R3TAS1R1
SCHEMBL6529701 0.80 MGLL (0.49) MAPTALDH1A1MAPK1TAS1R3TAS1R1
SCHEMBL5889515 0.79 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL27949094 0.78 TSHR (0.48) ALDH1A1TAS1R3TAS1R1TSHRHTR2A

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-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed