SCHEMBL1126418

SCHEMBL1126418

Cc1cc(C)nc(N2CCN(c3ccc(C(=O)C(N)=O)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GBA1 P04062 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 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
SCHEMBL1126919 0.83 HTR3E (0.52) KDM4EALDH1A1CHEK1KMT2AF2
SCHEMBL943023 0.79 MAPT (0.55) MAPTKDM4ELMNAGFERTSHR
SCHEMBL942722 0.76 MAPT (0.51) MAPTKDM4ELMNAGFERTSHR
SCHEMBL1126421 0.74 ALDH1A1 (0.48) MAPTKDM4ELMNAALDH1A1TDP1
SCHEMBL942805 0.74 SIRT6 (0.56) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL942660 0.73 GAA (0.55) MAPTKDM4ELMNAGFERTSHR
SCHEMBL28319150 0.72 NPC1 (0.58) MAPTKDM4ELMNATSHRMAPK1
SCHEMBL1645844 0.71 MAPT (0.56) MAPTKDM4ELMNAGFERTSHR
SCHEMBL1127038 0.71 PHGDH (0.47) MAPTKDM4ELMNAGFERTSHR
SCHEMBL1019837 0.71 MAPT (0.46) MAPTKDM4ELMNAGFERTSHR

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed