SCHEMBL16634606

SCHEMBL16634606

O=C(O)c1ccc(Nc2ccc(CO)cc2[N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
HCAR3 P49019 3/20 0.65
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64
MAPT P10636 6/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
MYC P01106 1/20 0.54
MAX P61244 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
PDK1 Q15118 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49

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
SCHEMBL16634609 1.00 KMT2A (0.71) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL2032839 0.86 HCAR3 (0.63) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL16634550 0.85 KMT2A (0.69) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL16634553 0.85 KMT2A (0.69) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL16634572 0.84 KMT2A (0.57) KMT2AHCAR3MAPTMEN1LMNA
SCHEMBL16634569 0.84 KMT2A (0.57) KMT2AHCAR3MAPTMEN1LMNA
SCHEMBL16634690 0.80 HCAR3 (0.67) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL16634689 0.80 HCAR3 (0.67) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL10531646 0.79 TDP1 (0.61) KMT2AHCAR3AKR1C3AKR1C2MAPT
SCHEMBL2338616 0.79 HCAR3 (1.00) KMT2AHCAR3AKR1C3AKR1C2MAPT

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed