SCHEMBL6524736

SCHEMBL6524736

C[CH]c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
NPBWR1 P48145 3/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
KDM4E B2RXH2 3/20 0.39
METAP2 P50579 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
DGAT1 O75907 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHUK O15111 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37

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
SCHEMBL23782321 0.84 NPBWR1 (0.40) KIF11NPBWR1ADAMTS5KDM4EMETAP2
SCHEMBL16168464 0.84 NPBWR1 (0.40) KIF11NPBWR1ADAMTS5KDM4EMETAP2
SCHEMBL5679579 0.78 MAPT (0.57) KIF11NPBWR1KDM4EMETAP2SCN10A
SCHEMBL5681855 0.76 NPSR1 (0.59) KIF11NPBWR1KDM4EMETAP2DGAT1
SCHEMBL10284433 0.75 KIF11 (0.47) KIF11NPBWR1KDM4EMETAP2SCN10A
SCHEMBL18628731 0.75 NPBWR1 (0.43) KIF11NPBWR1KDM4EMETAP2SCN10A
SCHEMBL2360716 0.75 MASP2 (0.48) KIF11NPBWR1KDM4EMETAP2SCN10A
SCHEMBL21496795 0.75 NPBWR1 (0.43) KIF11NPBWR1KDM4EMETAP2SCN10A
SCHEMBL666767 0.75 NPBWR1 (0.43) KIF11NPBWR1KDM4EMETAP2DGAT1
SCHEMBL2711960 0.75 KDM4E (0.50) KIF11NPBWR1KDM4EMETAP2SCN10A

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-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed