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SCHEMBL20261998

SCHEMBL20261998

NCCNC(=O)CCOCC(COCCCCCn1ccnc1)(COCCCCCn1ccnc1)COCCCCCn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 8/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NMT2 O60551 4/20 0.41
▸ NMT1 P30419 4/20 0.41

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
SCHEMBL17416712 0.94 L3MBTL1 (0.50) SMN1; SMN2LMNAL3MBTL1TSHRPKM
SCHEMBL14701140 0.83 QPCT (0.56) SMN1; SMN2LMNAL3MBTL1TSHRPKM
SCHEMBL14701138 0.78 L3MBTL1 (0.46) SMN1; SMN2LMNAL3MBTL1TSHRPKM
SCHEMBL5838416 0.76 TSHR (0.35) TSHR
SCHEMBL22268978 0.72 TBXAS1 (0.63) TBXAS1SMN1; SMN2LMNATSHR
SCHEMBL22268942 0.70 TBXAS1 (0.66) TBXAS1SMN1; SMN2LMNATSHR
SCHEMBL22268813 0.70 TBXAS1 (0.66) TBXAS1SMN1; SMN2LMNATSHR
SCHEMBL22268985 0.70 TBXAS1 (0.66) TBXAS1SMN1; SMN2LMNATSHR
SCHEMBL10663533 0.70 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL16610099 0.69 EGLN3 (0.58) TBXAS1SMN1; SMN2LMNAL3MBTL1TSHR

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
EP-2632956-B1 METHODS OF GENERATING ANTIBODIES TO METALLOENZYMES YEDA RES & DEV (IL) 2018-06-20 — — EP claimed