SCHEMBL2858009

SCHEMBL2858009

N#CCCN(Cc1cccnc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 9/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL2854455 0.91 KMT2A (0.50) ALDH1A1MEN1MAPK1KMT2ARECQL
SCHEMBL2859025 0.84 NAMPT (0.44) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL2855318 0.77 ROCK1 (0.43) ALDH1A1MAPK1GAAMAPTROCK1
SCHEMBL2850439 0.77 KMT2A (0.53) MEN1MAPK1KMT2A
SCHEMBL2853095 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL2856094 0.76 MAPT (0.42) SMN1; SMN2ALDH1A1POLBMAPTKDM4E
SCHEMBL2858117 0.75 MAPT (0.41) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL2854032 0.73 MAPT (0.43) SMN1; SMN2ALDH1A1POLBGAAMAPT
SCHEMBL2856366 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAMAPK1POLB
SCHEMBL2849972 0.72 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNAMEN1MAPK1

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 disclosed