SCHEMBL7442885

SCHEMBL7442885

COc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
MAPK1 P28482 2/20 0.68
TDP1 Q9NUW8 1/20 0.65
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.62
ACHE P22303 2/20 0.58
ALOX5 P09917 3/20 0.56
MEN1 O00255 2/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
BCHE P06276 1/20 0.53
F2RL1 P55085 1/20 0.53
HSD17B2 P37059 1/20 0.52
POLB P06746 1/20 0.52
NOD2 Q9HC29 1/20 0.52

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
SCHEMBL31329298 0.92 ALOX5 (0.68) KMT2AMAPK1TDP1NPC1RAB9A
SCHEMBL4064581 0.88 KMT2A (1.00) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8790580 0.87 ALDH1A1 (0.61) KMT2AMAPK1TDP1NPC1RAB9A
SCHEMBL13869716 0.84 KMT2A (0.84) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL417651 0.83 MAPK1 (0.73) KMT2AMAPK1TDP1NPC1RAB9A
SCHEMBL8790714 0.83 ALDH1A1 (0.56) KMT2AMAPK1TDP1RAB9ASMN1; SMN2
SCHEMBL15892683 0.82 KMT2A (0.67) KMT2ANPC1RAB9AALDH1A1ACHE
SCHEMBL19002580 0.82 ALDH1A1 (0.69) KMT2AMAPK1TDP1NPC1RAB9A
SCHEMBL31169773 0.82 RNF4 (0.68) KMT2AMAPK1NPC1RAB9AALDH1A1
SCHEMBL18180430 0.81 NPC1 (0.61) KMT2AMAPK1NPC1RAB9AALDH1A1

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-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed