SCHEMBL1127356

SCHEMBL1127356

Cc1[nH]cc(-c2ccccc2)c1CCOC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.34
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
CHUK O15111 1/20 0.33
PDPK1 O15530 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
PRKCG P05129 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CDK1 P06493 1/20 0.33
FES P07332 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL1127247 0.83 HTT (0.48) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1126842 0.81 HTT (0.42) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1127088 0.79 HTT (0.47) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1127206 0.78 HTT (0.46) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1126705 0.73 HTT (0.50) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1126627 0.71 HTT (0.45) HTTALDH1A1CDK1MAPK1GSK3A
SCHEMBL1127274 0.71 HTT (0.44) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1126791 0.71 HTT (0.44) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL1126606 0.70 CDC7 (0.46) HTTALDH1A1CDC7PLK4CHEK1
SCHEMBL11172051 0.70 MAPT (0.49) HTTMAPK1

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