SCHEMBL2855792

SCHEMBL2855792

CCCc1c(OC(=O)Nc2ccccc2N2CCCCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNQ2 O43526 5/20 0.48
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2856275 0.93 ALDH1A1 (0.52) MEN1KMT2AKCNQ2LMNAMAPT
SCHEMBL2856274 0.85 MAPT (0.49) LMNAMAPTPKMALDH1A1MAPK1
SCHEMBL2861253 0.84 MAPT (0.53) LMNAMAPTPKMALDH1A1HPGD
SCHEMBL2854758 0.83 MEN1 (0.49) MEN1KMT2AKCNQ2LMNAMAPT
SCHEMBL2856509 0.82 MAPT (0.48) LMNAMAPTPKMALDH1A1KDM4E
SCHEMBL2853248 0.81 MAPT (0.48) MEN1KMT2ALMNAMAPTPKM
SCHEMBL2854695 0.81 MAPT (0.50) LMNAMAPTPKMALDH1A1POLB
SCHEMBL2852672 0.81 MAPT (0.60) KMT2ALMNAMAPTPKMALDH1A1
SCHEMBL2860824 0.80 LMNA (0.57) MEN1KMT2ALMNAMAPTPKM
SCHEMBL2853491 0.80 ALDH1A1 (0.55) LMNAMAPTPKMALDH1A1POLB

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