SCHEMBL5226503

SCHEMBL5226503

CN1CCN(c2cnn(-c3ccc(-c4cccc(F)c4)cc3)c2-c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAP4K1 Q92918 4/20 0.45
NR3C1 P04150 2/20 0.44
ACVR1 Q04771 1/20 0.41
DHODH Q02127 1/20 0.41
DHFR P00374 1/20 0.41
FYN P06241 1/20 0.41
MAPK14 Q16539 1/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
MELK Q14680 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL5224110 0.91 KMT2A (0.50) LMNAPOLBKMT2ASMN1; SMN2MAP4K1
SCHEMBL5224173 0.83 ALDH1A1 (0.52) LMNAPOLBKMT2ASMN1; SMN2MAP4K1
SCHEMBL2761085 0.74 DHODH (0.43) LMNAMAP4K1DHODHMAPK14HTR6
SCHEMBL5224180 0.72 SMN1; SMN2 (0.41) LMNAPOLBKMT2ASMN1; SMN2MAP4K1
SCHEMBL5224673 0.71 SMO (0.40) LMNANR3C1DHODHMAPK14HTR6
SCHEMBL6313735 0.69 HTR1A (0.59) DHFRMAPK14HTR1AHTR1DHTR1B
SCHEMBL14282302 0.68 NPBWR1 (0.54) LMNAPOLBKMT2ASMN1; SMN2HTR1A
SCHEMBL14005327 0.68 NPBWR1 (0.61) LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL30108226 0.67 MELK (0.60) KMT2ASMN1; SMN2MAP4K1ACVR1MELK
SCHEMBL30108214 0.66 HTR1A (0.64) SMN1; SMN2DHFRHTR1AHTR2CHTR7

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-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed