SCHEMBL2854503

SCHEMBL2854503

CCCc1c(OC(=O)Nc2cccc3cccnc23)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2850383 0.92 KMT2A (0.47) KDRMAPTLMNAPKMKMT2A
SCHEMBL2853248 0.89 MAPT (0.48) GAAMAPTLMNAPKMKMT2A
SCHEMBL2856280 0.84 MAPK14 (0.55) KDRL3MBTL1GAAMAPTKMT2A
SCHEMBL2856274 0.83 MAPT (0.49) L3MBTL1GAAMAPTLMNAPKM
SCHEMBL2859086 0.82 LMNA (0.48) GAAMAPTLMNAPKMKMT2A
SCHEMBL2861253 0.82 MAPT (0.53) GAAMAPTLMNAPKMPOLB
SCHEMBL2850858 0.82 KDR (0.48) KDRL3MBTL1GAAMAPTLMNA
SCHEMBL2852672 0.81 MAPT (0.60) GAAMAPTLMNAPKMKMT2A
SCHEMBL2856509 0.80 MAPT (0.48) GAAMAPTLMNAPKMPOLB
SCHEMBL2854695 0.79 MAPT (0.50) GAAMAPTLMNAPKMPOLB

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