SCHEMBL30488985

SCHEMBL30488985

CN(C)c1ccc(-c2nc3cc(NC(=O)C=Cc4ccc(O)cc4)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.51
MMP13 P45452 1/20 0.51
MMP1 P03956 10/20 0.47
MMP9 P14780 10/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCHR1 Q99705 2/20 0.44
MAOB P27338 5/20 0.44
MAOA P21397 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL25226969 1.00 MMP2 (0.51) MMP2MMP13MMP1MMP9POLB
SCHEMBL8769622 0.81 POLB (0.60) MMP2MMP13MMP1MMP9POLB
SCHEMBL13836049 0.81 POLB (0.60) MMP2MMP13MMP1MMP9POLB
SCHEMBL13836664 0.80 MMP2 (0.61) MMP2MMP13MMP1MMP9POLB
SCHEMBL8767799 0.80 MMP2 (0.61) MMP2MMP13MMP1MMP9POLB
SCHEMBL13836663 0.80 MMP2 (0.61) MMP2MMP13MMP1MMP9POLB
SCHEMBL30488968 0.79 MMP2 (0.57) MMP2MMP13MMP9MCHR1
SCHEMBL25272362 0.79 MMP2 (0.57) MMP2MMP13MMP9MCHR1
SCHEMBL6119644 0.78 HPSE (0.61) MMP2MMP13MMP9POLBMAPT
SCHEMBL6126155 0.77 HPSE (0.63) MMP2MMP13MMP9POLBMAPT

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-2023110765-A1 BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF INFECTIOUS DISEASES EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2023-06-22 WO claimed