SCHEMBL16085403

SCHEMBL16085403

O=C(Nc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
KDM4E B2RXH2 1/20 1.00
NOD1 Q9Y239 12/20 0.84
TNF P01375 10/20 0.84
NOD2 Q9HC29 9/20 0.84
MEN1 O00255 7/20 0.83
KMT2A Q03164 7/20 0.83
RAB9A P51151 4/20 0.83
LMNA P02545 3/20 0.83
NPC1 O15118 3/20 0.78
USP2 O75604 1/20 0.78
TSHR P16473 1/20 0.78
HPGD P15428 1/20 0.72

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
SCHEMBL16263700 0.94 SMN1; SMN2 (0.89) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085545 0.89 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16062262 0.89 NOD1 (0.80) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085384 0.86 NOD1 (0.75) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL29228583 0.86 HDAC1 (0.87) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL30960755 0.86 HDAC1 (0.87) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085472 0.85 NOD1 (0.76) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085606 0.85 NOD1 (1.00) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085389 0.85 NOD1 (0.73) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085471 0.84 NOD1 (1.00) SMN1; SMN2KDM4ENOD1TNFNOD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed