SCHEMBL16634572

SCHEMBL16634572

O=C(O)c1ccc(Nc2ccc(CO)cc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
HCAR3 P49019 5/20 0.54
MEN1 O00255 6/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 7/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL16634569 1.00 KMT2A (0.57) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634609 0.84 KMT2A (0.71) KMT2AHCAR3MEN1MAPTSMN1; SMN2
SCHEMBL16634606 0.84 KMT2A (0.71) KMT2AHCAR3MEN1MAPTSMN1; SMN2
SCHEMBL16634860 0.82 HCAR3 (0.63) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634858 0.82 HCAR3 (0.63) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634595 0.81 HCAR3 (0.57) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634593 0.81 HCAR3 (0.57) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634720 0.80 MAPT (0.56) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634599 0.80 HCAR3 (0.53) KMT2AHCAR3MEN1POLBMAPT
SCHEMBL16634598 0.80 HCAR3 (0.53) KMT2AHCAR3MEN1POLBMAPT

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