SCHEMBL9540186

SCHEMBL9540186

CCCCOC(=O)Oc1nnc(OC(=O)OCCCC)c2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
XDH P47989 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
PIN1 Q13526 1/20 0.39
ELANE P08246 3/20 0.37
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9543012 0.91 LMNA (0.43) LMNAXDHALDH1A1KDM4EHPGD
SCHEMBL9540433 0.91 LMNA (0.43) LMNAXDHALDH1A1KDM4EHPGD
SCHEMBL9542969 0.86 KDM4E (0.40) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9540456 0.83 ALOX5 (0.36) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9542967 0.79 CSNK2A2 (0.34) KDM4ESMN1; SMN2RAB9ATSHR
SCHEMBL9540192 0.76 CDK1 (0.38) KDM4EHPGDSMN1; SMN2RAB9ACDK1
SCHEMBL7368064 0.71 LMNA (0.44) LMNAL3MBTL1CYP1A2CYP3A4
SCHEMBL7374428 0.68 LMNA (0.44) LMNAXDHALDH1A1SMN1; SMN2NPC1
SCHEMBL7979485 0.67 ELANE (0.49) LMNAALDH1A1HPGDSMN1; SMN2ELANE
SCHEMBL9542989 0.67 ELANE (0.34) ELANEL3MBTL1

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