SCHEMBL9740218

SCHEMBL9740218

COC(N)=Nc1nc(OC)cc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AHR P35869 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
RAD52 P43351 1/20 0.36
MPO P05164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9739737 0.90 CRHBP (0.48) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9741157 0.88 ALDH1A1 (0.39) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9740905 0.82 POLB (0.40) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9621906 0.81 CRHBP (0.43) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9621901 0.81 CRHBP (0.43) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9741160 0.81 HCRTR1 (0.33) L3MBTL1CRHBPCRHR2LMNASMN1; SMN2
SCHEMBL9738143 0.81 L3MBTL1 (0.44) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9739709 0.78 CRHBP (0.54) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9739029 0.78 L3MBTL1 (0.42) L3MBTL1CYP1A2ALDH1A1KDM4ECRHBP
SCHEMBL9739611 0.77 CRHBP (0.36) L3MBTL1ALDH1A1KDM4ECRHBPCRHR2

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-5126454-A PROCESS FOR THE PREPARATION OF SULPHONYLISOUREAS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed