SCHEMBL6579096

SCHEMBL6579096

CNC(=O)c1cccnc1Oc1cccc(C#N)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK8 P45983 3/20 0.49
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER2 P43116 1/20 0.48
GRM5 P41594 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
F10 P00742 1/20 0.46

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
SCHEMBL5362007 0.85 HCRTR1 (0.49) ALDH1A1MAPK8ADRA2AADRA2BADRA2C
SCHEMBL10967980 0.82 KMT2A (0.71) ADRA2AADRA2BADRA2CGRM5
SCHEMBL6773056 0.82 F10 (0.67) PTGER4PTGER2GRM5F10
SCHEMBL7370275 0.82 MAPK8 (0.49) ALDH1A1MAPK8ADRA2AADRA2BADRA2C
SCHEMBL7373877 0.81 ELANE (0.53) ALDH1A1TDP1HCRTR1HCRTR2F10
SCHEMBL7365372 0.81 MAPK8 (0.74) ALDH1A1MAPK8ADRA2AADRA2BADRA2C
SCHEMBL7370447 0.81 MAPK8 (0.56) MAPK8ADRA2AADRA2BADRA2C
SCHEMBL8568262 0.81 ALDH1A1 (0.74) ALDH1A1MAPK8TDP1POLBGAA
SCHEMBL7373146 0.80 MAPK8 (0.50) ALDH1A1MAPK8ADRA2AADRA2BADRA2C
SCHEMBL7680876 0.80 MAPK8 (0.54) MAPK8ADRA2AADRA2BADRA2CPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed