SCHEMBL9367173

SCHEMBL9367173

O=C(NCCCN1CCCCCC1=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
ALDH1A1 P00352 1/20 0.67
TSHR P16473 1/20 0.67
USP2 O75604 1/20 0.65
NAMPT P43490 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 1/20 0.58
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL4707395 0.95 LMNA (0.75) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL1402561 0.87 TSHR (0.69) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL3033526 0.82 SMN1; SMN2 (0.66) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL4768542 0.82 KMT2A (0.69) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL13213711 0.82 SMN1; SMN2 (0.69) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL10194836 0.82 SMN1; SMN2 (0.73) ALDH1A1TSHRUSP2NAMPTSMN1; SMN2
SCHEMBL6068990 0.82 SMN1; SMN2 (0.69) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL5474202 0.81 ALDH1A1 (0.71) LMNAALDH1A1NAMPTSMN1; SMN2L3MBTL1
SCHEMBL15317663 0.80 SMN1; SMN2 (0.70) LMNAALDH1A1TSHRUSP2NAMPT
SCHEMBL4488063 0.79 NAMPT (0.63) LMNAALDH1A1TSHRUSP2NAMPT

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-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP disclosed