SCHEMBL16634599

SCHEMBL16634599

N#Cc1ccc(Nc2ccc(C(=O)O)cc2F)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.53
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KAT2B Q92831 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL16634598 1.00 HCAR3 (0.53) HCAR3KMT2AMEN1POLBMAP2K1
SCHEMBL16634858 0.81 HCAR3 (0.63) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634860 0.81 HCAR3 (0.63) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634723 0.80 MAP2K1 (0.54) KMT2AMEN1MAP2K1MAPTALDH1A1
SCHEMBL16634593 0.80 HCAR3 (0.57) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634595 0.80 HCAR3 (0.57) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634572 0.80 KMT2A (0.57) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634569 0.80 KMT2A (0.57) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634718 0.79 MAPT (0.56) HCAR3KMT2AMEN1POLBMAPT
SCHEMBL16634720 0.79 MAPT (0.56) HCAR3KMT2AMEN1POLBMAPT

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