SCHEMBL1126974

SCHEMBL1126974

COCCc1c(C(=O)C(=O)Cl)[nH]c(C)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CSF1R P07333 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK5 Q00535 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PIM1 P11309 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MDM2 Q00987 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1127376 0.90 LMNA (0.40) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127778 0.83 LMNA (0.39) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1126902 0.80 LMNA (0.38) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1126894 0.78 LMNA (0.48) LMNARAB9AALDH1A1TP53NPC1
SCHEMBL1126936 0.78 CSF1R (0.39) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127366 0.74 LMNA (0.37) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127408 0.73 RAB9A (0.39) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127422 0.72 RAB9A (0.41) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127399 0.72 LMNA (0.35) LMNARAB9AALDH1A1CSF1RCYP1A2
SCHEMBL1127186 0.71 MTNR1A (0.45) LMNARAB9AALDH1A1CYP1A2HPGD

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