SCHEMBL1127780

SCHEMBL1127780

COCCCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MITF O75030 1/20 0.35
NOD1 Q9Y239 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
SCHEMBL1126775 0.96 ALDH1A1 (0.40) KDM4EGAATDP1L3MBTL1TRPV4
SCHEMBL1127378 0.93 HPGD (0.41) GAATDP1ALDH1A1HPGDTP53
SCHEMBL1126904 0.86 PPARG (0.35) KDM4EGAAALDH1A1KMT2APTGER4
SCHEMBL1127595 0.85 KDM4E (0.39) KDM4EGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL15161860 0.84 LMNA (0.44) KDM4EALDH1A1KMT2AHPGD
SCHEMBL16588840 0.84 KDM4E (0.39) KDM4EGAATDP1L3MBTL1TRPV4
SCHEMBL1126938 0.83 KDM4E (0.43) KDM4EGAATDP1ALDH1A1KMT2A
SCHEMBL1126982 0.82 TP53 (0.35) KDM4EGAATDP1ALDH1A1KMT2A
SCHEMBL1127235 0.82 THRB (0.37) KDM4EGAATDP1ALDH1A1KMT2A
SCHEMBL1127123 0.82 ALDH1A1 (0.40) GAATDP1ALDH1A1KMT2AHPGD

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