SCHEMBL8032236

SCHEMBL8032236

C=CC(=O)O/C(=C(\C#N)c1nc(C(C)(C)C)cs1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.37
RAB9A P51151 8/20 0.37
NPC1 O15118 8/20 0.37
MEN1 O00255 7/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 6/20 0.35
CCR4 P51679 1/20 0.33
TSHR P16473 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GSTO1 P78417 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL8032238 1.00 KMT2A (0.37) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL8032239 0.76 MAPT (0.55) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL8022930 0.70 MAPT (0.51) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL8032305 0.70 KMT2A (0.46) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL8032652 0.68 MAPT (0.40) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL9807120 0.67 MAPT (0.38) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL27349403 0.66 SMN1; SMN2 (0.36) KMT2ARAB9AALDH1A1POLBMAPK1
SCHEMBL1435249 0.63 MAPT (0.47) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL19879688 0.62 KMT2A (0.49) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL8034722 0.62 CES2 (0.40) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT

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