SCHEMBL9540192

SCHEMBL9540192

CCC(C)OC(=O)Oc1nnc(OC(=O)OC(C)CC)c2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
TP53 P04637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9540260 0.86 KDM4E (0.33) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL9542967 0.82 CSNK2A2 (0.34) TP53KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL9539357 0.77 KDM4E (0.34) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL6823522 0.67 SMN1; SMN2 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL6919855 0.66 SMN1; SMN2 (0.40) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL25380452 0.63 MAPT (0.38) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2980293 0.63 MAPT (0.38) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL149834 0.63 MAPT (0.38) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2984199 0.63 MAPT (0.38) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL25382868 0.63 MAPT (0.38) TSHRGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003033-A1 CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1993-02-18 WO claimed
WO-1993003033-A1 CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1993-02-18 WO disclosed