SCHEMBL2860253

SCHEMBL2860253

O=C(NCCc1ccccc1)Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2854509 0.94 KDM4E (0.50) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2854346 0.92 MAPT (0.52) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2855547 0.91 TAAR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2860715 0.90 ALDH1A1 (0.46) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL2863198 0.89 CCR1 (0.50) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852633 0.89 TAAR1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2856562 0.88 MAPT (0.48) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2860110 0.88 KDM4E (0.47) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL2850321 0.88 SMN1; SMN2 (0.47) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL2852671 0.87 MAPT (0.43) KDM4EALDH1A1MAPTLMNAPOLB

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed