SCHEMBL16085404

SCHEMBL16085404

O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(-c2ccccc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.74
▸ MEN1 O00255 9/20 0.74
▸ LMNA P02545 8/20 0.74
▸ MAPT P10636 6/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ TP53 P04637 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 5/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ NFKB1 P19838 3/20 0.54
▸ NFKB2 Q00653 3/20 0.54
▸ RELA Q04206 3/20 0.54
▸ ABL1 P00519 5/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SCD O00767 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MGAM O43451 1/20 0.53

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
SCHEMBL16085382 0.90 KMT2A (0.70) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085488 0.88 MEN1 (0.61) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085436 0.87 MEN1 (0.81) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085390 0.86 KMT2A (1.00) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085570 0.84 ABL1 (0.59) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085391 0.83 MEN1 (0.71) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16062238 0.83 LMNA (0.60) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085487 0.83 ABL1 (0.60) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085425 0.83 SCD (0.61) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16085539 0.82 LMNA (0.57) KMT2AMEN1LMNAMAPTSMN1; SMN2

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
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