SCHEMBL9100684

SCHEMBL9100684

CN(CCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
BCHE P06276 1/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
USP2 O75604 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
IDO1 P14902 1/20 0.47
CNR1 P21554 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 3/20 0.45
CA12 O43570 2/20 0.44

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
SCHEMBL24413753 0.85 TDP1 (0.48) CKS1BSKP1SKP2TDP1MEN1
SCHEMBL8747512 0.84 KMT2A (0.50) CKS1BSKP1SKP2TDP1MEN1
SCHEMBL9363322 0.84 TDP1 (0.49) CKS1BSKP1SKP2TDP1MEN1
SCHEMBL24257374 0.83 TDP1 (0.48) CKS1BSKP1SKP2TDP1MEN1
SCHEMBL24413752 0.82 MALT1 (0.49) CKS1BSKP1SKP2TDP1BCHE
SCHEMBL4600182 0.81 SIGMAR1 (0.62) SIGMAR1
SCHEMBL8993992 0.80 SMN1; SMN2 (0.42) BCHEMEN1KMT2AUSP2CYP3A4
SCHEMBL13415823 0.79 MTNR1A (0.66) BCHEMTNR1AMTNR1BUSP2CNR1
SCHEMBL8354855 0.79 CYP3A4 (0.52) TDP1MEN1GAAKMT2AMALT1
SCHEMBL24974709 0.79 MALT1 (0.51) CKS1BSKP1SKP2TDP1BCHE

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-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