SCHEMBL9101010

SCHEMBL9101010

CN(CCC(=O)NCCN(CCNC(=O)CCN(C)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
KCNH2 Q12809 2/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GFER P55789 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL9099535 0.86 USP2 (0.57) USP2MTNR1AMTNR1BGAAMAPT
SCHEMBL2637695 0.78 TP53 (0.47) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL4254446 0.78 L3MBTL1 (0.50) USP2MTNR1AMTNR1BHTTKMT2A
SCHEMBL11864598 0.78 TP53 (0.45) MTNR1AMTNR1BGAAMEN1MAPT
Hydrochloric Acid SCHEMBL6831468 0.77 TP53 (0.46) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL13135448 0.76 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL9244171 0.75 MMP2 (0.50) USP2GAAMEN1KMT2ABCHE
SCHEMBL9103877 0.75 USP2 (0.45) USP2MTNR1AMTNR1BGAABCHE
SCHEMBL8978487 0.75 MEN1 (0.60) KCNH2MTNR1AMTNR1BGAAMEN1
SCHEMBL9102402 0.74 USP2 (0.44) USP2GAAMAPTBCHEALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474431-B1 Amphiphilic compounds for sequential monolayer deposition ICI PLC (GB) 1996-03-06 EP disclosed
US-5275924-A Non-centrosymmetric; hydrophobic; chromophores IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
EP-0474431-A1 Amphiphilic compounds for sequential monolayer deposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed