SCHEMBL9540433

SCHEMBL9540433

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
XDH P47989 3/20 0.37
CDK1 P06493 3/20 0.37
CCNB1 P14635 3/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
PIN1 Q13526 1/20 0.37
ELANE P08246 3/20 0.35
ESR1 P03372 4/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 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
SCHEMBL9540456 0.93 ALOX5 (0.36) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9540186 0.91 LMNA (0.46) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9543012 0.90 LMNA (0.43) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9542969 0.78 KDM4E (0.40) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9542989 0.77 ELANE (0.34) ELANEL3MBTL1
SCHEMBL9542967 0.70 CSNK2A2 (0.34) SMN1; SMN2KDM4ERAB9ATSHR
SCHEMBL9540192 0.68 CDK1 (0.38) SMN1; SMN2KDM4EHPGDRAB9ACDK1
SCHEMBL7368064 0.68 LMNA (0.44) LMNACYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL7374428 0.65 LMNA (0.44) LMNASMN1; SMN2ALDH1A1NPC1XDH
SCHEMBL7979485 0.65 ELANE (0.49) LMNASMN1; SMN2ALDH1A1HPGDELANE

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
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