SCHEMBL8575758

SCHEMBL8575758

Nc1ccccc1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PDE7A Q13946 1/20 0.49
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALPL P05186 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL975117 0.89 ALDH1A1 (0.68) CTSDALDH1A1GAAMAPTRAB9A
SCHEMBL6715531 0.84 RECQL (0.63) CTSDALDH1A1MAPTPDE7ATDP1
Anthranilic Acid SCHEMBL9662456 0.84 TSHR (0.56) CTSDALDH1A1GAAMAPTSMN1; SMN2
Anthranilic Acid SCHEMBL27758640 0.83 MAPT (0.58) CTSDALDH1A1GAAMAPTMAPK1
SCHEMBL112507 0.80 MAPT (0.74) ALDH1A1GAAMAPTRAB9ANPC1
SCHEMBL30790667 0.80 MAPT (0.74) ALDH1A1GAAMAPTRAB9ANPC1
SCHEMBL5705801 0.80 TSHR (0.59) CTSDALDH1A1GAAMAPTRAB9A
SCHEMBL11282500 0.80 KCNMA1 (0.59) CTSDALDH1A1MAPTRAB9ANPC1
Anthranilic Acid SCHEMBL28874863 0.79 CTSD (0.54) CTSDALDH1A1GAAMAPTSMN1; SMN2
Hydroxyamine SCHEMBL28261784 0.79 CTSD (0.57) CTSDALDH1A1GAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5706829-A BENZODIAZEPINE DERIVATIVE CREIGHTON UNIVERSITY (US) 1998-01-13 US disclosed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed
US-4214071-A Amide-imide polymers WESTINGHOUSE ELECTRIC CORP. (US) 1980-07-22 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed