SCHEMBL10437622

SCHEMBL10437622

C=C(C(=O)Oc1ccc(F)cc1)n1nnnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.38
HSD11B1 P28845 3/20 0.36
STAT5B P51692 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5673134 0.70 MGLL (0.52) MGLLALDH1A1HPGDHSD11B1POLB
SCHEMBL10437623 0.70 MEN1 (0.46) MGLLALDH1A1HPGDHSD11B1STAT5B
SCHEMBL9769828 0.70 ELANE (0.43) MGLLALDH1A1HPGDMAPTHSD11B1
SCHEMBL9769831 0.68 ALDH1A1 (0.42) MGLLALDH1A1HPGDHSD11B1STAT5B
SCHEMBL10611755 0.67 HMGCR (0.37) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL9769894 0.66 ALDH1A1 (0.43) MGLLALDH1A1HPGDHSD11B1STAT5B
SCHEMBL12781922 0.66 MGLL (0.51) MGLLALDH1A1HPGDMAPTHSD11B1
SCHEMBL9769841 0.64 HMGCR (0.41) MGLLALDH1A1HPGDMAPTHSD11B1
SCHEMBL9769846 0.64 HMGCR (0.41) MGLLALDH1A1HPGDMAPTHSD11B1
SCHEMBL10609361 0.64 TDP1 (0.37) MGLLALDH1A1MAPTELANEKMT2A

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
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed