SCHEMBL5504069

SCHEMBL5504069

CCOC(=N)c1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
BRD9 Q9H8M2 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TRPA1 O75762 1/20 0.36

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
Hydrochloric Acid SCHEMBL2456062 0.98 DGAT1 (0.53) DGAT1TSHRMEN1KMT2AMAPT
SCHEMBL22950515 0.86 DGAT1 (0.54) DGAT1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL21632724 0.85 DGAT1 (0.53) DGAT1TSHRMEN1KMT2AMAPT
SCHEMBL6578363 0.84 DGAT1 (0.59) DGAT1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL10040527 0.84 DGAT1 (0.50) DGAT1TSHRMEN1KMT2AMAPT
SCHEMBL15007064 0.82 DGAT1 (0.49) DGAT1MEN1KMT2AMAPTCASP3
Hydrochloric Acid SCHEMBL3130867 0.82 DGAT1 (0.49) DGAT1TSHRMEN1KMT2AMAPT
SCHEMBL3733983 0.82 DGAT1 (0.57) DGAT1TSHRMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6578358 0.82 DGAT1 (0.57) DGAT1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL1146528 0.81 CA12 (0.56) MEN1KMT2AMAPTCASP3SENP7

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-1861380-A1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. Organon (NL) 2007-12-05 EP disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 WO disclosed