SCHEMBL6552544

SCHEMBL6552544

CC(=O)Oc1ccc(Sc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 3/20 0.46
MGLL Q99685 2/20 0.46
CUL4A Q13619 1/20 0.44
PKM P14618 2/20 0.43
F2 P00734 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41

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
SCHEMBL337646 0.89 LMNA (0.57) MAPTALDH1A1LMNAPOLBMGLL
SCHEMBL5355347 0.86 LMNA (0.61) MAPTALDH1A1LMNAPOLBPKM
SCHEMBL6552705 0.85 MAOA (0.42) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL5945230 0.84 HSD17B10 (0.58) MAPTALDH1A1LMNAPOLBMGLL
SCHEMBL28632338 0.83 MAOA (0.50) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL10500433 0.83 MAPT (0.49) MAPTALDH1A1LMNAMGLLCUL4A
SCHEMBL11125066 0.80 MAPT (0.55) MAPTALDH1A1LMNAPOLBMGLL
SCHEMBL6323128 0.80 ELANE (0.49) MAPTALDH1A1LMNAPOLBMGLL
SCHEMBL12023642 0.79 LMNA (0.53) MAPTALDH1A1LMNAPOLBPKM
SCHEMBL13047614 0.79 LMNA (0.77) MAOBMAPTALDH1A1LMNAPOLB

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed