SCHEMBL1127257

SCHEMBL1127257

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)ccn4CC(N)=O)cc3)CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ACVR1 Q04771 1/20 0.38
KDR P35968 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
REV1 Q9UBZ9 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1127209 0.90 ALDH1A1 (0.40) GAATRPV1KDRALDH1A1MAPT
SCHEMBL1127445 0.82 TRPV1 (0.39) GAATRPV1ALDH1A1MAPTPOLB
SCHEMBL1126898 0.81 TRPV1 (0.41) GAATRPV1KDRALDH1A1MAPT
SCHEMBL1126410 0.81 MEN1 (0.39) GAAALDH1A1MAPTPOLBHSD17B10
SCHEMBL1127072 0.80 MALT1 (0.39) GAATRPV1KDRALDH1A1MAPT
SCHEMBL1126932 0.79 MAPT (0.38) GAATRPV1KDRALDH1A1MAPT
SCHEMBL1127448 0.78 ALDH1A1 (0.39) GAATRPV1KDRALDH1A1MAPT
SCHEMBL1126527 0.78 MAPT (0.37) GAATRPV1ALDH1A1MAPTPOLB
SCHEMBL1127332 0.77 MCHR1 (0.39) GAATRPV1ALDH1A1MAPTPOLB
SCHEMBL1127265 0.77 KDR (0.37) GAATRPV1KDRALDH1A1MAPT

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