SCHEMBL1127206

SCHEMBL1127206

COCCCCc1c(-c2ccccc2)c[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36

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
SCHEMBL1127088 0.95 HTT (0.47) HTTKDM4EGAAL3MBTL1HSD17B10
SCHEMBL1127247 0.91 HTT (0.48) HTTKDM4EGAAL3MBTL1HSD17B10
SCHEMBL1126705 0.81 HTT (0.50) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1126842 0.79 HTT (0.42) HTTKDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL1127356 0.78 HTT (0.41) HTTGAAHSD17B10ALDH1A1HPGD
SCHEMBL11172051 0.77 MAPT (0.49) HTTSMN1; SMN2MAPTMAPK1
SCHEMBL1126606 0.74 CDC7 (0.46) HTTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL1127151 0.74 HTT (0.43) HTTHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1126627 0.72 HTT (0.45) HTTKDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL1127274 0.72 HTT (0.44) HTTKDM4EL3MBTL1HSD17B10SMN1; SMN2

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