SCHEMBL1127046

SCHEMBL1127046

COCCn1ccc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.46
GLO1 Q04760 2/20 0.39
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL15162449 0.88 ALDH1A1 (0.42) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL1126989 0.87 ALDH1A1 (0.39) CNR1CNR2ALDH1A1HPGD
SCHEMBL1126995 0.86 GFER (0.39) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL1126908 0.85 ALDH1A1 (0.38) CNR1CNR2KDM4EALDH1A1TDP1
SCHEMBL15161955 0.83 SMN1; SMN2 (0.44) CNR1CNR2GLO1KDM4EALDH1A1
SCHEMBL15162305 0.82 KDM4E (0.46) CNR2KDM4EALDH1A1LMNAHPGD
SCHEMBL1126911 0.82 HTR2C (0.41) CNR2KDM4EALDH1A1LMNAMAPK1
SCHEMBL1127699 0.81 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL1127835 0.81 L3MBTL1 (0.43) CNR1CNR2GLO1KDM4EHPGD
SCHEMBL1127378 0.78 HPGD (0.41) CNR1CNR2ALDH1A1LMNATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
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