SCHEMBL1126902

SCHEMBL1126902

COCCOCc1c(C)[nH]c(C(=O)C(=O)Cl)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
RAB9A P51151 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
STAT1 P42224 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
CSF1R P07333 1/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL1127408 0.89 RAB9A (0.39) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1127376 0.87 LMNA (0.40) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1127422 0.87 RAB9A (0.41) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1127778 0.85 LMNA (0.39) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1126936 0.80 CSF1R (0.39) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1126974 0.80 LMNA (0.43) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1127366 0.78 LMNA (0.37) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1126894 0.78 LMNA (0.48) LMNARAB9AMAPTALDH1A1HTT
SCHEMBL1127793 0.75 ALDH1A1 (0.38) LMNARAB9ANPSR1MAPTSTAT1
SCHEMBL1127399 0.75 LMNA (0.35) LMNARAB9ANPSR1MAPTSTAT1

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