SCHEMBL9833140

SCHEMBL9833140

CC(C)(C)C1CCC(OCCCCCl)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL26764011 0.82 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL5737986 0.79 MEN1 (0.40) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL24856586 0.79 MEN1 (0.37) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL6064183 0.78 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL13141317 0.76 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL10775393 0.76 NPC1 (0.43)
SCHEMBL9835828 0.75 HTT (0.35) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL15222418 0.75 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL9187222 0.74 NPC1 (0.47)
SCHEMBL10957906 0.74 S1PR5 (0.41) MEN1KMT2AHTTL3MBTL1TSHR

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
EP-0234255-B1 N-(ALKYLAMINO)-AZOLYLUREAS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1991-03-20 EP disclosed
EP-0234255-A1 N-(Alkylamino)-azolylureas and fungicides containing them BASF Aktiengesellschaft (DE) 1987-09-02 EP disclosed