SCHEMBL9246788

SCHEMBL9246788

O=C(NCCNc1nccc(O)n1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.46
TGM2 P21980 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
POLB P06746 1/20 0.44
ANPEP P15144 1/20 0.43
GAA P10253 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
CTSK P43235 1/20 0.42
KAT2B Q92831 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
SCHEMBL13055383 0.78 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9524592 0.76 TGM2 (0.64) LMNASMN1; SMN2HTTL3MBTL1TGM2
SCHEMBL18608757 0.74 CDC7 (0.52) L3MBTL1MEN1KMT2A
SCHEMBL5019074 0.74 LMNA (0.73) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL707687 0.72 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4506331 0.72 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10243339 0.72 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL18254066 0.72 HTT (0.81) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL17038716 0.72 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL2384157 0.71 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed