SCHEMBL7419856

SCHEMBL7419856

[CH2]C1CSc2ccccc2C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
DRD1 P21728 1/20 0.36
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
USP2 O75604 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL9565765 0.73 MEN1 (0.44) KMT2AMEN1NPC1SIGMAR1
SCHEMBL7698345 0.68 KMT2A (0.34) KMT2AMEN1NPC1DRD1EDNRA
SCHEMBL6716278 0.67 MTNR1A (0.34) KMT2AMEN1NPC1DRD1TDP1
SCHEMBL8570815 0.66 SIGMAR1 (0.40) KMT2AMEN1SIGMAR1
SCHEMBL14113763 0.66 ALDH1A1 (0.38) KMT2AMEN1NPC1DRD1ALDH1A1
SCHEMBL13453317 0.65 ALDH1A1 (0.50) KMT2AMEN1NPC1DRD1ALDH1A1
SCHEMBL22779306 0.65 ALDH1A1 (0.36) KMT2AMEN1NPC1DRD1ALDH1A1
SCHEMBL22952568 0.65 ALDH1A1 (0.36) KMT2AMEN1NPC1DRD1ALDH1A1
SCHEMBL2679605 0.65 ALDH1A1 (0.36) KMT2AMEN1NPC1DRD1ALDH1A1
SCHEMBL8144693 0.65 HTR2A (0.41) KMT2AMEN1NPC1DRD1ALDH1A1

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-1100769-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-23 EP disclosed
WO-2000007978-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-17 WO disclosed