SCHEMBL16634619

SCHEMBL16634619

O=C(O)c1ccc(Nc2c(F)cccc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 1/20 0.50
AKR1C4 P17516 3/20 0.49
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C1 Q04828 3/20 0.49
MAPT P10636 3/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
AR P10275 1/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL16634621 1.00 HCAR3 (0.53) HCAR3MEN1KMT2APOLBAKR1C4
SCHEMBL16634858 0.84 HCAR3 (0.63) HCAR3MEN1KMT2APOLBAKR1C4
SCHEMBL16634860 0.84 HCAR3 (0.63) HCAR3MEN1KMT2APOLBAKR1C4
SCHEMBL3602490 0.82 ATM (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16634650 0.79 DHODH (0.57) HCAR3MEN1KMT2APOLBMAPT
SCHEMBL16634648 0.79 DHODH (0.57) HCAR3MEN1KMT2APOLBMAPT
SCHEMBL4055608 0.79 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20475343 0.76 KDM4E (0.55) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL9537323 0.75 CASP6 (0.51) HCAR3MEN1KMT2APOLBMAPT
SCHEMBL16634595 0.75 HCAR3 (0.57) HCAR3MEN1KMT2APOLBAKR1C4

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