SCHEMBL7980418

SCHEMBL7980418

C[C@H](Oc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FKBP1A P62942 1/20 0.41
TP53 P04637 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
SCHEMBL8009648 0.89 PTAFR (0.44) NAMPTHPGDHTTSMN1; SMN2
SCHEMBL7980003 0.89 PTAFR (0.44) NAMPTHPGDHTTSMN1; SMN2
SCHEMBL7978613 0.89 PTAFR (0.44) NAMPTHPGDHTTSMN1; SMN2
SCHEMBL7966264 0.87 PTAFR (0.44) NAMPTHTTSMN1; SMN2
SCHEMBL7976664 0.86 PTAFR (0.43) NAMPTHTTSMN1; SMN2
SCHEMBL7976660 0.86 PTAFR (0.43) NAMPTHTTSMN1; SMN2
SCHEMBL7979922 0.86 PTAFR (0.43) NAMPTHTTSMN1; SMN2
SCHEMBL7966529 0.84 PTAFR (0.44) NAMPTMAPTHTTSMN1; SMN2
SCHEMBL7966525 0.84 PTAFR (0.44) NAMPTMAPTHTTSMN1; SMN2
SCHEMBL8016608 0.83 KMT2A (0.42) NAMPTLMNAALDH1A1KMT2ASMN1; SMN2

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed