SCHEMBL11241235

SCHEMBL11241235

C=CCn1cccc1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.41
KMT2A Q03164 7/20 0.41
RAB9A P51151 9/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7963893 0.85 PTGS1 (0.43) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL7675118 0.77 NPC1 (0.39) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL1655684 0.74 ALOX5 (0.39) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL7530197 0.73 ADRA1D (0.55) KMT2ARAB9AALDH1A1POLBLMNA
SCHEMBL11230731 0.73 NPC1 (0.41) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL3363698 0.72 NPC1 (0.59) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL4739140 0.70 KMT2A (0.45) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL6217005 0.69 ALDH1A1 (0.48) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL30523 0.69 TRIM24 (0.45) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL10984099 0.69 KMT2A (0.37) NPC1KMT2ARAB9AMEN1ALDH1A1

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
JP-57144256-A None JP disclosed
JP-S57144256-A PREPARATION OF (1-ALKYL-5-TOLUOYL-2-PYRROLYL)ACETAMIDE DERIVATIVE SAGAMI CHEM RES CENTER 1982-09-06 JP disclosed