SCHEMBL8713685

SCHEMBL8713685

CCOC(=O)c1occ2cc(C#N)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 2/20 0.39
ELANE P08246 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.38
NCEH1 Q6PIU2 2/20 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
SCHEMBL8718373 0.90 SMN1; SMN2 (0.40) SMN1; SMN2TSHRMAPK1NPSR1KDM4E
SCHEMBL9121263 0.81 MAOA (0.49) SMN1; SMN2TSHRKDM4EALDH1A1MAPT
SCHEMBL7628834 0.80 ALDH1A1 (0.47) SMN1; SMN2TSHRKDM4EALDH1A1ELANE
SCHEMBL8716110 0.80 LMNA (0.47) SMN1; SMN2MAPK1KDM4EALDH1A1ELANE
SCHEMBL8712457 0.79 CYP2A6 (0.41) NCEH1
SCHEMBL1511820 0.78 KDM4E (0.51) SMN1; SMN2TSHRKDM4EALDH1A1GLA
SCHEMBL8713430 0.77 CA1 (0.41) ALDH1A1MAPTNCEH1
SCHEMBL8905088 0.77 HRH3 (0.37) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL29120037 0.77 CYP4F2 (0.50) SMN1; SMN2TSHRMAPK1NPSR1KDM4E
SCHEMBL7386025 0.77 MAPT (0.40) SMN1; SMN2TSHRMAPK1NPSR1KDM4E

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed