SCHEMBL27619952

SCHEMBL27619952

COC(=O)C(=O)NC(=O)c1cc(OC)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.57
P2RX7 Q99572 5/20 0.50
P2RY12 Q9H244 1/20 0.50
MAPT P10636 2/20 0.48
CLK1 P49759 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
PKM P14618 1/20 0.44
JAK2 O60674 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GHSR Q92847 1/20 0.42
FADS1 O60427 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27639068 0.88 TYK2 (0.57) TYK2P2RX7P2RY12MAPTCLK1
SCHEMBL7984549 0.81 TYK2 (0.62) TYK2P2RX7P2RY12MAPTALDH1A1
SCHEMBL1180024 0.77 KDM4E (0.60) TYK2P2RX7P2RY12MAPTALDH1A1
SCHEMBL696853 0.75 ALDH1A1 (0.59) TYK2P2RX7P2RY12MAPTALDH1A1
SCHEMBL4261329 0.75 SMN1; SMN2 (0.59) TYK2MAPTALDH1A1SMN1; SMN2ERCC5
SCHEMBL1363543 0.75 TYK2 (0.55) TYK2P2RX7P2RY12MAPTALDH1A1
SCHEMBL2850887 0.74 CASP1 (0.55) TYK2P2RX7P2RY12MAPTALDH1A1
Hydrochloric Acid SCHEMBL18861007 0.74 SMN1; SMN2 (0.57) TYK2MAPTALDH1A1SMN1; SMN2ERCC5
SCHEMBL27638945 0.73 LMNA (0.62) MAPTCLK1ALDH1A1KDM4EMEN1
SCHEMBL31104526 0.72 P2RX7 (0.56) TYK2P2RX7P2RY12MAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed