SCHEMBL1127072

SCHEMBL1127072

COCCn1ccc(-c2ccc(Cl)cc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3nccc(C)c3C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NR3C1 P04150 1/20 0.37
LMNA P02545 3/20 0.37
LCK P06239 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL1126519 0.82 F10 (0.41) MALT1MAPKAPK2MAPTSMN1; SMN2ALDH1A1
SCHEMBL1127257 0.80 GAA (0.38) TRPV1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL1127209 0.79 ALDH1A1 (0.40) TRPV1MAPTALDH1A1TSHRKDR
SCHEMBL1127185 0.77 MALT1 (0.37) MALT1TRPV1MAPTALDH1A1TSHR
SCHEMBL1126697 0.74 MALT1 (0.41) MALT1MAPTALDH1A1TSHRLMNA
SCHEMBL1126898 0.74 TRPV1 (0.41) MALT1TRPV1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1126674 0.74 LMNA (0.38) MALT1MAPTALDH1A1TSHRLMNA
SCHEMBL1127445 0.73 TRPV1 (0.39) MALT1TRPV1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1127076 0.73 TRPV1 (0.38) MALT1TRPV1MAPTALDH1A1TSHR
SCHEMBL1126932 0.72 MAPT (0.38) MALT1TRPV1MAPTSMN1; SMN2ALDH1A1

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 claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed