SCHEMBL2854346

SCHEMBL2854346

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
CCR1 P32246 2/20 0.41
GAA P10253 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 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
SCHEMBL2856562 0.96 MAPT (0.48) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2863154 0.95 MAPT (0.45) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2854509 0.94 KDM4E (0.50) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2851231 0.93 MAPT (0.46) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2860253 0.92 PLAAT3 (0.47) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL2862820 0.91 P2RX7 (0.45) MAPTTSHRL3MBTL1KDM4ESMN1; SMN2
SCHEMBL2855547 0.91 TAAR1 (0.54) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL2861752 0.91 MAPT (0.43) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2854309 0.90 MAPT (0.42) MAPTTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2850857 0.90 TP53 (0.46) MAPTTSHRL3MBTL1P2RX7TAAR1

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