SCHEMBL1126909

SCHEMBL1126909

CCC(C)(C)N1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPY2R P49146 1/20 0.39
REV1 Q9UBZ9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1126696 0.84 MAPT (0.50) MEN1KMT2AMAPTGAANPC1
SCHEMBL1126487 0.83 MAPT (0.51) MEN1KMT2AMAPTGAANPC1
SCHEMBL1127109 0.83 MAPT (0.52) MEN1KMT2AMAPTGAANPC1
SCHEMBL19661313 0.82 GAA (0.42) MEN1KMT2AMAPTGAANPC1
SCHEMBL30235329 0.82 ALDH1A1 (0.48) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL1992485 0.82 ALDH1A1 (0.48) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL1992803 0.81 REV1 (0.44) MEN1KMT2AMAPTGAANPC1
SCHEMBL1127203 0.81 NPY2R (0.44) MEN1KMT2AMAPTGAANPC1
SCHEMBL1127152 0.81 NAMPT (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1993111 0.81 ALDH1A1 (0.42) MEN1KMT2AMAPTGAANPC1

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