SCHEMBL18870971

SCHEMBL18870971

CC1(C)CC(=O)C(=CN=Nc2ccncc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL18871441 0.82 ALDH1A1 (0.50) TSHRMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL18871494 0.77 ALDH1A1 (0.36) TSHRMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL18870863 0.71 ALDH1A1 (0.46) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL18871447 0.71 GAA (0.42) TSHRMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL13640474 0.69 TSHR (0.43) TSHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18871134 0.62 ALDH1A1 (0.41) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL18871416 0.62 ALDH1A1 (0.46) MAPTALDH1A1HTTATMTP53
SCHEMBL106526 0.60 CCNT1 (0.50) TSHRMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL139295 0.60 CCNT1 (0.50) TSHRMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL23888802 0.60 TSHR (0.54) TSHRPIK3CDPIK3CAPIK3CBPIK3CG

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-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
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