SCHEMBL16085613

SCHEMBL16085613

O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccnc(P)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 12/20 0.55
▸ ABL1 P00519 3/20 0.53
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GPER1 Q99527 1/20 0.49

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
SCHEMBL16085610 0.86 SCD (0.65) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085428 0.84 LMNA (0.57) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085608 0.82 ABL1 (0.56) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085425 0.81 SCD (0.61) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085380 0.79 RAB9A (0.74) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085539 0.78 LMNA (0.57) SCDABL1LMNAMEN1KMT2A
SCHEMBL16062238 0.77 LMNA (0.60) SCDABL1LMNAMEN1KMT2A
SCHEMBL16085525 0.77 LMNA (0.53) SCDABL1LMNAMEN1KMT2A
SCHEMBL4287355 0.76 SCD (0.52) SCDABL1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4275892 0.76 SCD (0.51) SCDABL1LMNAMEN1KMT2A

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 3 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
US-8728631-B2 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 — — US disclosed
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