SCHEMBL3935211

SCHEMBL3935211

CC(=O)Nc1ccc(S(=O)(=O)N(C2CC2)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 8/20 0.44
CA1 P00915 7/20 0.44
CA7 P43166 4/20 0.43
NAMPT P43490 2/20 0.41
CCR3 P51677 1/20 0.41
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3565139 0.92 L3MBTL1 (0.59) L3MBTL1CA2CA1CA7NAMPT
SCHEMBL3562248 0.92 CA2 (0.48) CA2CA1CA7CCR3ALDH1A1
SCHEMBL3561058 0.90 CCR3 (0.47) L3MBTL1CA2CA1CA7CCR3
SCHEMBL3564369 0.90 CNR1 (0.48) CA2CA1CNR1POLB
SCHEMBL3565154 0.90 UTS2R (0.46) CA2CA1CA7CCR3ALDH1A1
SCHEMBL3562731 0.90 POLB (0.45) CA2CA1CA7NAMPTCCR3
SCHEMBL3555505 0.89 CA1 (0.50) CA2CA1CA7CCR3
SCHEMBL3556125 0.89 POLB (0.45) L3MBTL1CA2CA1CCR3ALDH1A1
SCHEMBL3564906 0.87 CCR3 (0.41) CA2CA1CA7NAMPTCCR3
SCHEMBL3556001 0.87 HTR7 (0.41) CA2CA1CA7CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed