SCHEMBL10573558

SCHEMBL10573558

CCOC(=O)CN1C=CCNC1=NC#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ POLB P06746 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ PIN4 Q9Y237 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL10573552 0.73 KMT2A (0.36) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL31714994 0.63 TSHR (0.57) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL19700529 0.62 MAPT (0.50) KMT2ATDP1MAPTALDH1A1KDM4E
SCHEMBL3735853 0.62 TSHR (0.63) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL3735855 0.62 TSHR (0.63) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL13077554 0.62 TSHR (0.63) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL31714667 0.61 TSHR (0.39) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL12704182 0.59 GSK3A (0.50) KMT2AGSK3AGSK3BALDH1A1PIN1
SCHEMBL16424936 0.59 TSHR (0.49) KMT2ATDP1GSK3AGSK3BMAPT
SCHEMBL22762016 0.58 GSK3A (0.45) KMT2ATDP1GSK3AGSK3BMAPT

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
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 — — US disclosed
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