SCHEMBL9364688

SCHEMBL9364688

CCC(=O)C(=O)Nc1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.56
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM4 Q14833 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.51
MCHR1 Q99705 1/20 0.51
IDO1 P14902 1/20 0.50

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
SCHEMBL934088 0.84 LMNA (0.67) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL11607825 0.84 GPR35 (0.59) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL9364693 0.81 GPR35 (0.58) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9364633 0.81 SAE1 (0.54) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL11607569 0.81 PTPN11 (0.71) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL6667746 0.80 TDP1 (0.62) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL30368222 0.79 ALDH1A1 (0.66) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL171190 0.79 ALDH1A1 (0.66) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL13753679 0.79 KMT2A (0.66) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL4599065 0.79 LMNA (0.63) KMT2AMAPTALDH1A1MEN1LMNA

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