SCHEMBL2856562

SCHEMBL2856562

O=C(NCCc1ccc(F)cc1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
DDR1 Q08345 1/20 0.40

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
SCHEMBL2854346 0.96 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2863154 0.95 MAPT (0.45) MAPTALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL2854509 0.94 KDM4E (0.50) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2860110 0.92 KDM4E (0.47) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2859861 0.91 TAAR1 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2859726 0.91 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2861752 0.91 MAPT (0.43) MAPTALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL2854793 0.91 KDM4E (0.46) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2860458 0.90 TP53 (0.46) MAPTTSHRL3MBTL1P2RX7LMNA
SCHEMBL2850857 0.90 TP53 (0.46) MAPTTSHRL3MBTL1P2RX7LMNA

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