SCHEMBL9544480

SCHEMBL9544480

CCOC(=O)C(C#N)=CO.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 5/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
KDM4E B2RXH2 3/20 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
KMT2A Q03164 5/20 0.48
MEN1 O00255 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
DHODH Q02127 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
SCHEMBL9544475 1.00 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL1680433 0.98 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL8025998 0.98 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL1680434 0.98 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL8027197 0.96 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL8027195 0.96 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL4906704 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL4961560 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL2755215 0.85 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL19355063 0.82 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed