SCHEMBL8087591

SCHEMBL8087591

Cc1cc(CN)[nH]c1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.33
UPP1 Q16831 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8086262 0.79 ALDH1A1 (0.38) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL8086276 0.73 PDE3B (0.41) LOXL2ALDH1A1GAAHPGDALOX15
SCHEMBL1801170 0.73
SCHEMBL27447491 0.70 LOXL2 (0.50) LOXL2ALDH1A1KDM4E
SCHEMBL4597863 0.65 UPP1 (0.34) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL25156207 0.62 LOXL2 (0.61) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20840177 0.61 LOXL2 (0.41) LOXL2ALDH1A1KDM4E
SCHEMBL7476062 0.61
SCHEMBL27447490 0.61 LOXL2 (0.53) LOXL2
Hydrochloric Acid SCHEMBL15873813 0.60 LOXL2 (0.40) LOXL2ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
EP-0956294-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
WO-1998006741-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed