SCHEMBL1647342

SCHEMBL1647342

Cc1ccnc(N2CCCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cccc(C)n45)cc3)CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
ALDH1A1 P00352 8/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 4/20 0.40
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
NR4A1 P22736 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
MALT1 Q9UDY8 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 3/20 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
SCHEMBL1126898 0.85 TRPV1 (0.41) MAPTALDH1A1LMNAHTTTRPV1
SCHEMBL2230930 0.84 ALDH1A1 (0.40) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL1645419 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL1127445 0.82 TRPV1 (0.39) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL2229185 0.82 MAPT (0.39) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL1126932 0.81 MAPT (0.38) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL2231973 0.80 MAPT (0.41) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL1127448 0.80 ALDH1A1 (0.39) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL1126527 0.80 MAPT (0.37) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL1647640 0.79 MAPT (0.40) MAPTALDH1A1LMNAHTTUSP2

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed