SCHEMBL3238076

SCHEMBL3238076

O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccccc1)Oc1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.49
ABCB11 O95342 1/20 0.43
F2 P00734 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 1/20 0.41
KDM5B Q9UGL1 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
Hydrochloric Acid SCHEMBL3244696 0.92 F10 (0.45) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL3245423 0.91 F10 (0.44) F10ABCB11F2ST14PTGS2
SCHEMBL3244221 0.90 F10 (0.44) F10
SCHEMBL3510008 0.87 F10 (0.65) F10ABCB11F2ST14PTGS2
SCHEMBL3246184 0.81 F10 (0.38) F10F2ALDH1A1TSHRHSD17B10
SCHEMBL8230562 0.80 F10 (0.60) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL3506415 0.79 F10 (0.59) F10ABCB11F2ST14PTGS2
SCHEMBL8225130 0.79 F10 (0.59) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL3507990 0.79 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL3508052 0.77 F10 (0.55) F10ABCB11F2ST14

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-2029546-B1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-28 EP disclosed