SCHEMBL9614538

SCHEMBL9614538

CCOC(=O)n1c(=O)c(C)nc2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 4/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PSMD14 O00487 1/20 0.40
ELANE P08246 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL28965644 0.76 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL3472630 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL5424142 0.71 LMNA (0.71) ALDH1A1MAPTATMGAASMN1; SMN2
SCHEMBL28965728 0.70 ALDH1A1 (0.60) ALDH1A1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL3756850 0.69 CCNB2 (0.41) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL861881 0.69 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADORA2BMAPK1
SCHEMBL21177057 0.69 TSHR (0.59) ALDH1A1MAPTATMGAAKDM4E
SCHEMBL17882590 0.68 TSHR (0.48) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL16792773 0.68 ALDH1A1 (0.45) ALDH1A1MAPTATMSMN1; SMN2LMNA
SCHEMBL5431370 0.68 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520024-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-30 EP disclosed
WO-1991013878-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-09-19 WO disclosed