SCHEMBL2859017

SCHEMBL2859017

O=C(NCCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CCR1 P32246 3/20 0.52
DDR1 Q08345 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
DDR2 Q16832 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MAP3K20 Q9NYL2 1/20 0.52
MAP3K2 Q9Y2U5 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P2RX7 Q99572 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL2852043 0.93 KDM4E (0.70) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2858927 0.91 KDM4E (0.61) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2853014 0.90 KDM4E (0.60) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2852896 0.89 KDM4E (0.63) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2857175 0.89 MAPT (0.57) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2855132 0.89 MAPT (0.57) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2855239 0.88 ALDH1A1 (0.56) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2848312 0.87 CCR1 (0.56) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2852102 0.84 ALDH1A1 (0.67) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL13513697 0.84 ABCB1 (0.58) MAPTKDM4EALDH1A1CCR1NPSR1

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