SCHEMBL4444883

SCHEMBL4444883

Cc1cccc(-n2cccc2C(=O)C(=O)Nc2ccc(N3CCN(c4cc(C)cc(C)n4)CC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 6/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 4/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 3/20 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
SCHEMBL1126056 0.94 LMNA (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1126854 0.81 GFER (0.39) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1126361 0.80 MAPT (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1127022 0.77 MAPT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL16500308 0.76 PSEN1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1126449 0.76 MAPT (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2231012 0.76 MAPT (0.45) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1127284 0.75 MAPT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL30234731 0.75 MAPT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1127162 0.75 MAPT (0.41) ALDH1A1MEN1KMT2AGAAMAPT

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