SCHEMBL10573552

SCHEMBL10573552

CCOC(=O)CN1CCCNC1=NC#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ GSK3A P49840 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ELANE P08246 1/20 0.32
▸ AR P10275 1/20 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
SCHEMBL31714994 0.77 TSHR (0.57) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL13077554 0.76 TSHR (0.63) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL3735853 0.76 TSHR (0.63) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL3735855 0.76 TSHR (0.63) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL10573558 0.73 KMT2A (0.38) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL31714667 0.69 TSHR (0.39) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL6969092 0.69 ALDH1A1 (0.47) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13775361 0.69 GSK3B (0.41) KMT2ATSHRTDP1ALDH1A1KDM4E
SCHEMBL16424936 0.68 TSHR (0.49) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9765459 0.68 MEN1 (0.33) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP claimed
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 — — US disclosed
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP disclosed
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