SCHEMBL7679171

SCHEMBL7679171

CCOC(=C=O)CN(C(=O)c1ccc(NC)c(N)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 4/20 0.40
PTGER4 P35408 3/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 3/20 0.37
THRB P10828 2/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 1/20 0.37
PRSS12 P56730 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL7673483 0.84 ALDH1A1 (0.50) KMT2APTGER4ALDH1A1MAPTKDM4E
SCHEMBL6779617 0.81 SMN1; SMN2 (0.50) PRKCIMEN1KMT2AGAAPTGER4
SCHEMBL506325 0.75 PRKCI (0.46) PRKCIMEN1KMT2AGAAPTGER4
SCHEMBL28798220 0.74 ADRA2C (0.47) PRKCIMEN1KMT2AGAAALDH1A1
SCHEMBL6776686 0.73 GAA (0.44) PRKCIMEN1KMT2AGAAALDH1A1
SCHEMBL6782253 0.72 MAPT (0.51) MEN1KMT2AGAAPTGER4ALDH1A1
SCHEMBL29276650 0.71 KMT2A (0.41) PRKCIKMT2AGAAPTGER4ALDH1A1
SCHEMBL6779269 0.71 ADRA2C (0.41) PRKCIMEN1KMT2AGAAALDH1A1
SCHEMBL408918 0.71 PTGER4 (0.67) PRKCIKMT2AGAAPTGER4ALDH1A1
SCHEMBL29276987 0.70 PRKCI (0.40) PRKCIMEN1KMT2AGAAPTGER4

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
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed