SCHEMBL2852941

SCHEMBL2852941

O=C(NCCc1ccccc1)Oc1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
CCR1 P32246 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK14 Q16539 1/20 0.40
CARM1 Q86X55 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
CACNA1G O43497 1/20 0.38

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
SCHEMBL2853061 0.94 KDM4E (0.44) POLBCCR1MAPTKDM4EALDH1A1
SCHEMBL2854509 0.91 KDM4E (0.50) POLBCCR1MAPTKDM4EALDH1A1
SCHEMBL2856562 0.89 MAPT (0.48) POLBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2854346 0.89 MAPT (0.52) POLBCCR1MAPTKDM4EALDH1A1
SCHEMBL2862820 0.89 P2RX7 (0.45) CCR1MAPTKDM4ESMN1; SMN2MAPK14
SCHEMBL2852671 0.89 MAPT (0.43) POLBMAPTKDM4EALDH1A1KEAP1
SCHEMBL2857230 0.86 KDM4E (0.44) POLBCCR1MAPTKDM4EALDH1A1
SCHEMBL2863198 0.86 CCR1 (0.50) POLBCCR1MAPTKDM4EALDH1A1
SCHEMBL2858011 0.86 ABCB1 (0.51) CCR1MAPTTAAR1LMNA
SCHEMBL2852221 0.86 ALDH1A1 (0.46) POLBMAPTKDM4EALDH1A1SMN1; SMN2

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