SCHEMBL9703959

SCHEMBL9703959

CCOC(=O)c1nc2cc3ccccc3cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
GLA P06280 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.50
PABPC1 P11940 1/20 0.50
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47

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
SCHEMBL6705309 0.85 ALDH1A1 (0.46) KMT2AKDM4EMAPTMEN1SMN1; SMN2
SCHEMBL880365 0.85 ALDH1A1 (0.62) KMT2AKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL9704461 0.83 LMNA (0.43) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL9705717 0.83 SIRT2 (0.44) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6375213 0.83 ALDH1A1 (0.53) KMT2AKDM4EMAPTMEN1SMN1; SMN2
SCHEMBL11349805 0.83 LMNA (0.43) KMT2AKDM4EMAPTLMNAALDH1A1
Butane SCHEMBL7847687 0.83 ALDH1A1 (0.60) KMT2AKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL9703575 0.83 GRIN2D (0.63) LMNAGAA
SCHEMBL6377630 0.83 ALDH1A1 (0.51) KMT2AKDM4EMEN1SMN1; SMN2ALDH1A1
SCHEMBL3995236 0.82 ALDH1A1 (0.53) KDM4EMAPTLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed