SCHEMBL10364446

SCHEMBL10364446

CCOC(=O)c1c(CC)cc([N+](=O)[O-])cc1NC(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
KMT2A Q03164 5/20 0.42
AKR1B1 P15121 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
MEN1 O00255 3/20 0.40
AR P10275 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
SETD7 Q8WTS6 1/20 0.38

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
SCHEMBL10362498 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL10489743 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDNPC1KMT2A
SCHEMBL10362965 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HPGDKDM4EKMT2A
SCHEMBL9508401 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1KMT2ANPSR1
SCHEMBL10660264 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDNPC1KMT2A
SCHEMBL10662510 0.76 NPC1 (0.49) SMN1; SMN2ALDH1A1NPC1KMT2AAKR1B1
SCHEMBL9510528 0.76 MAPT (0.43) SMN1; SMN2ALDH1A1KMT2AAKR1B1NPSR1
SCHEMBL10489727 0.75 AKR1B1 (0.51) SMN1; SMN2ALDH1A1HPGDNPC1KMT2A
SCHEMBL10656382 0.75 NPC1 (0.47) SMN1; SMN2ALDH1A1HPGDNPC1KMT2A
SCHEMBL10657324 0.74 NPC1 (0.58) SMN1; SMN2ALDH1A1NPC1KMT2APOLB

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-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed