SCHEMBL7978886

SCHEMBL7978886

COc1cccnc1N(C(C)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL7985647 0.80 ALDH1A1 (0.50) KMT2AMEN1TSHRLMNAL3MBTL1
SCHEMBL15206612 0.80 TDP1 (0.51) KMT2AMEN1TSHRLMNAL3MBTL1
SCHEMBL7978926 0.79 ALDH1A1 (0.43) KMT2AMEN1TSHRLMNATRPM8
SCHEMBL7978954 0.79 ALDH1A1 (0.43) KMT2AMEN1TSHRLMNAL3MBTL1
SCHEMBL31393778 0.76 PAX8 (0.56) KMT2AMEN1TSHRTRPM8ALDH1A1
SCHEMBL7978951 0.75 POLQ (0.42) KMT2AMEN1TSHRALDH1A1NPC1
SCHEMBL8691853 0.75 KMT2A (0.41) KMT2AMEN1TSHRALDH1A1NPC1
SCHEMBL7968895 0.74 ALDH1A1 (0.43) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL11617034 0.72 ADORA2A (0.49) TSHRLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7968912 0.72 ALDH1A1 (0.42) KMT2AMEN1TSHRLMNAALDH1A1

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
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed