SCHEMBL12445797

SCHEMBL12445797

C=C/C=C\C(NCc1cc(NC(=O)c2sc3ccc(O)cc3c2C)ccn1)=C(N)N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PRKCI P41743 1/20 0.32
SENP5 Q96HI0 6/20 0.32
SENP2 Q9HC62 6/20 0.32
SENP1 Q9P0U3 6/20 0.32
CISD2 Q8N5K1 2/20 0.32
CXCR2 P25025 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BRD4 O60885 1/20 0.30
WDR5 P61964 1/20 0.30

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
SCHEMBL12445904 0.85 PTGDR2 (0.38) F10ICAM1SELEPTGDR2SENP5
SCHEMBL7942773 0.76 BACE1 (0.41) F10PRKCICISD2
SCHEMBL7945236 0.66 BACE1 (0.54) SENP5SENP2SENP1
SCHEMBL7940504 0.64 PTGDR2 (0.40) F10PTGDR2CISD2CXCR2
SCHEMBL7933199 0.63 BACE1 (0.44)
SCHEMBL9757077 0.59 GPR35 (0.65) ICAM1SELE
SCHEMBL9756981 0.59 MAPK1 (0.53) ICAM1SELECISD2SMN1; SMN2
SCHEMBL24343769 0.58 GPR35 (0.38) ICAM1SELE
SCHEMBL7943409 0.58 RAB9A (0.45) PRKCINPC1RAB9ASMN1; SMN2
SCHEMBL14691616 0.57 CA12 (0.53) ICAM1SELENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed