SCHEMBL9545461

SCHEMBL9545461

CCOC(=O)/C(C#N)=C\Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTP4A1 Q93096 1/20 0.49
MIF P14174 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
USP2 O75604 2/20 0.48
GAA P10253 2/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1680577 1.00 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL6152101 1.00 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2755215 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4906704 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4961560 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL27638684 0.85 CYP2C9 (0.46) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL1680433 0.82 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL8025998 0.82 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL1680434 0.82 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL19355063 0.82 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 US disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 US disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed