SCHEMBL6972329

SCHEMBL6972329

O=C(O)CNC(=O)c1cccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
EGLN1 Q9GZT9 2/20 0.58
EGLN2 Q96KS0 1/20 0.58
FTO Q9C0B1 1/20 0.58
GAA P10253 2/20 0.56
NPC1 O15118 1/20 0.52
POLB P06746 2/20 0.52
EGFR P00533 4/20 0.51
GFER P55789 1/20 0.50

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
SCHEMBL1520785 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL13116725 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL27697974 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL28355041 0.84 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL13702282 0.83 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL13116736 0.83 LMNA (0.53) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL28354844 0.83 KMT2A (0.66) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL920392 0.83 NSD2 (0.66) SMN1; SMN2LMNAALDH1A1HPGDEGLN1
SCHEMBL30646753 0.82 EGLN1 (0.57) SMN1; SMN2LMNAALDH1A1HPGDEGLN1
SCHEMBL29065192 0.82 EGLN1 (0.57) SMN1; SMN2LMNAALDH1A1HPGDEGLN1

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
EP-1095036-B1 CINNAMIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH THERAPEUTICS LTD (GB) 2003-05-07 EP disclosed
US-6465471-B1 INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS THUS THEY ARE OF USE IN PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS CELLTECH THERAPEUTICS LIMITED (GB) 2002-10-15 US disclosed
EP-1095036-A1 CINNAMIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH THERAPEUTICS LIMITED (GB) 2001-05-02 EP disclosed
WO-2000001690-A1 CINNAMIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH THERAPEUTICS LIMITED (GB) 2000-01-13 WO disclosed