SCHEMBL1127401

SCHEMBL1127401

CSC(C)Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.33
MET P08581 1/20 0.32
KMT2A Q03164 3/20 0.32
PTGES O14684 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGS1 P23219 3/20 0.31
MEN1 O00255 2/20 0.31
PTGS2 P35354 2/20 0.31
FABP2 P12104 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C4 P17516 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
LMNA P02545 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
SCHEMBL1126895 0.81 MTNR1A (0.39) CD274CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1127241 0.63 RPA1 (0.43) KMT2AMEN1LMNACYP1A2MAPT
SCHEMBL1127001 0.60 ADORA3 (0.39) KMT2AMEN1TSHRCYP1A2MAPT
SCHEMBL15162096 0.60 THRB (0.39) KMT2APTGS1MEN1PTGS2FABP2
SCHEMBL1126648 0.59 CSF1R (0.37) KMT2APTGESMEN1LMNACYP1A2
SCHEMBL1126905 0.58 SMN1; SMN2 (0.36) CD274KMT2APTGS1MEN1PTGS2
SCHEMBL12327240 0.58 SIGMAR1 (0.54) KMT2AMEN1ADRA2BADORA2AADORA1
SCHEMBL13242159 0.58 SIGMAR1 (0.54) KMT2AMEN1ADRA2BADORA2AADORA1
SCHEMBL998326 0.57 BCAT2 (0.59) KMT2AMEN1TSHRLMNAGAA
SCHEMBL20568185 0.57 ALDH1A1 (0.46) KMT2AMEN1CYP1A2HPGDCYP2C19

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