SCHEMBL1127138

SCHEMBL1127138

COCCc1c[nH]c(C(=O)C(=O)Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.34
TP53 P04637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MDM2 Q00987 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
NOTUM Q6P988 1/20 0.31
BCL2 P10415 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
MAP2 P11137 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1127700 0.77 KDM4E (0.40) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL1126976 0.70 JAK3 (0.33)
SCHEMBL16500354 0.69 PRKAB2 (0.41) PYGLNOTUMBCL2CYP1A2
SCHEMBL1126618 0.69 EGFR (0.40) TP53CYP1A2
SCHEMBL1127376 0.65 LMNA (0.40) TP53NPC1RAB9ALMNAMAPT
SCHEMBL11257788 0.64 HEXA (0.41) TP53NPC1RAB9ALMNAMAPT
SCHEMBL1126973 0.62 FFAR1 (0.40) ALDH1A1MAP2HSD17B10CYP1A2
SCHEMBL15497049 0.61 TP53 (0.52) TP53NPC1RAB9ALMNAMAPT
SCHEMBL9269074 0.61 MAOB (0.53) ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1127778 0.61 LMNA (0.39) TP53RAB9ALMNAMAPTALDH1A1

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