SCHEMBL3635172

SCHEMBL3635172

CC(I)OC(=O)c1cc(Cl)cc2sc3ccccc3c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
MAOA P21397 8/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
HCRTR1 O43613 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3244937 0.86 MAOA (0.45) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL3246703 0.84 MAOA (0.46) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL4431580 0.82 MAOA (0.41) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL51133 0.81 MAPT (0.48) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL29501104 0.81 MAPT (0.48) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL11170692 0.79 KDM4E (0.51) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL11172693 0.76 ALDH1A1 (0.50) MAOBMAOAMAPTALDH1A1POLB
SCHEMBL3251039 0.76 MAOA (0.36) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL28543803 0.71 ALDH1A1 (0.51) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL11166531 0.70 KDM4E (0.42) MAOBMAOAMAPTALDH1A1MEN1

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-2144876-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2010-01-20 EP disclosed
WO-2008138724-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2008-11-20 WO disclosed