SCHEMBL2856635

SCHEMBL2856635

O=C(Nc1nccc2ccccc12)Oc1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 18/20 0.42
PHGDH O43175 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2858340 0.90 MALT1 (0.42) MALT1PHGDH
SCHEMBL2850882 0.90 MALT1 (0.44) MALT1PHGDH
SCHEMBL2853326 0.83 MALT1 (0.39) MALT1PHGDHKDM4EALDH1A1
SCHEMBL2852442 0.83 MALT1 (0.56) MALT1
SCHEMBL2854611 0.81 TRPV1 (0.41) MALT1KDM4EHPGD
SCHEMBL2857586 0.78 ATR (0.39) MALT1KDM4EALDH1A1HPGD
SCHEMBL2862979 0.78 TRPV1 (0.44) KDM4E
SCHEMBL2855796 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2854810 0.78 KMT2A (0.46) MALT1KDM4EALDH1A1
SCHEMBL2854501 0.77 MTOR (0.43) KDM4EALDH1A1

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