SCHEMBL7474953

SCHEMBL7474953

CCN(CC)C(=O)Oc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 2/20 0.48
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TSPO P30536 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL1416018 0.82 POLB (0.33) MEN1KMT2AHSD17B10LMNAL3MBTL1
SCHEMBL751033 0.81 RAB9A (0.48) KMT2ALMNATSHRNPC1RAB9A
SCHEMBL8749753 0.78 RAB9A (0.54) TSHRNPC1MAPTRAB9ATSPO
SCHEMBL10811798 0.77 ATM (0.35) LMNAL3MBTL1TSHR
SCHEMBL2291003 0.77 ELANE (0.45) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL1416078 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL3120409 0.75 LMNA (0.44) HSD17B10LMNATSHRSMN1; SMN2NPC1
SCHEMBL3123209 0.75 SMN1; SMN2 (0.38) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL3120403 0.75 ALDH1A1 (0.43) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5731394 0.75 TSHR (0.43) MEN1KMT2AHSD17B10L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed