SCHEMBL8032239

SCHEMBL8032239

C=CC(=O)OC(=C(C#N)c1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.55
KMT2A Q03164 11/20 0.55
MEN1 O00255 10/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
TSHR P16473 2/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
HTT P42858 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.47
GALK1 P51570 4/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL14194434 0.77 RECQL (0.66) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8032238 0.76 KMT2A (0.37) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8032236 0.76 KMT2A (0.37) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8022915 0.76 MAPT (0.82) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL687737 0.70 MAPT (0.66) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL687736 0.70 MAPT (0.66) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL24751 0.69 HSD17B1 (0.62) MAPTKMT2AMEN1NPC1RAB9A
Bromide SCHEMBL28862925 0.68 HSD17B1 (0.61) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL31544600 0.68 RECQL (0.69) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14478968 0.68 MAPT (1.00) MAPTKMT2AMEN1NPC1RAB9A

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-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed