SCHEMBL16634573

SCHEMBL16634573

O=C(O)c1ccc(Nc2ccc(NCC3CCC3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.56
KMT2A Q03164 5/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
MYC P01106 1/20 0.50
MAX P61244 1/20 0.50
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6712646 0.85 L3MBTL1 (0.52) HCAR3KMT2AMEN1MAPTMYC
SCHEMBL3928131 0.78 MAPT (0.51) HCAR3KMT2AMEN1MAPTHPGD
SCHEMBL3928138 0.78 MAPT (0.51) HCAR3KMT2AMEN1MAPTHPGD
SCHEMBL16634575 0.77 AKR1C3 (0.57) HCAR3KMT2AAKR1C3AKR1C2MEN1
SCHEMBL23978061 0.77 HCAR3 (0.70) HCAR3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16634690 0.76 HCAR3 (0.67) HCAR3KMT2AAKR1C3AKR1C2MEN1
SCHEMBL16634689 0.76 HCAR3 (0.67) HCAR3KMT2AAKR1C3AKR1C2MEN1
SCHEMBL3966385 0.75 HTT (0.60) HCAR3KMT2AMEN1MAPTLMNA
SCHEMBL16634606 0.75 KMT2A (0.71) HCAR3KMT2AAKR1C3AKR1C2MEN1
SCHEMBL16634609 0.75 KMT2A (0.71) HCAR3KMT2AAKR1C3AKR1C2MEN1

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