SCHEMBL9364783

SCHEMBL9364783

CCOC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.57
NPC1 O15118 4/20 0.56
LMNA P02545 4/20 0.56
RAB9A P51151 4/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
POLB P06746 1/20 0.54
KCNMA1 Q12791 1/20 0.53
AKR1B1 P15121 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9365478 0.89 MAPT (0.67) ALDH1A1KMT2AMAPTLMNACYP1A2
SCHEMBL6004947 0.87 CYP1A2 (0.65) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL9364514 0.87 KMT2A (0.58) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL9365284 0.87 PKM (0.59) ALDH1A1KMT2AMAPTLMNAMAPK1
SCHEMBL8135626 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL9365386 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL4812667 0.86 MAPT (0.69) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL2800656 0.86 KMT2A (0.62) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL9365311 0.85 KMT2A (0.56) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL9364781 0.85 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTNPC1LMNA

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
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed