SCHEMBL1127366

SCHEMBL1127366

COCC=CCc1c(C)[nH]c(C(=O)C(=O)Cl)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 6/20 0.37
RAB9A P51151 4/20 0.37
AKT1 P31749 1/20 0.36
MAPT P10636 2/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
XBP1 P17861 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CSF1R P07333 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
PADI4 Q9UM07 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
PIM1 P11309 1/20 0.32
SLC2A1 P11166 1/20 0.32
TSHR P16473 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
SCHEMBL1127376 0.81 LMNA (0.40) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1127778 0.79 LMNA (0.39) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1126902 0.78 LMNA (0.38) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1127422 0.76 RAB9A (0.41) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1126936 0.74 CSF1R (0.39) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1126894 0.74 LMNA (0.48) LMNAALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL1127408 0.74 RAB9A (0.39) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1127399 0.74 LMNA (0.35) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1126974 0.74 LMNA (0.43) LMNAALDH1A1RAB9AMAPTSTAT1
SCHEMBL1126655 0.72 TBXAS1 (0.42) ALDH1A1RAB9AMAPTSTAT1NPSR1

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