SCHEMBL8902929

SCHEMBL8902929

O=[N+]([O-])c1cc(C(F)(F)F)cc2n[se]nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TXNRD1 Q16881 1/20 0.51
▸ TXNRD3 Q86VQ6 1/20 0.51
▸ TXNRD2 Q9NNW7 1/20 0.51
▸ PTPN5 P54829 1/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ MAPT P10636 6/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ PLK1 P53350 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL27477654 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL6203515 0.74 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2654731 0.69 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL30568369 0.69 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9316398 0.69 GPR35 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9015339 0.69 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL994270 0.69 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9259759 0.69 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11444409 0.69 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
Chloralin SCHEMBL455937 0.69 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRTDP1HPGD

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
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 — — US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 — — US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 — — US disclosed
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