SCHEMBL18871441

SCHEMBL18871441

CC1(C)CC(=O)C(=CN=Nc2ccc(N)cc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.50
▸ MAPT P10636 8/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34

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
SCHEMBL18870971 0.82 TSHR (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871494 0.80 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871447 0.77 GAA (0.42) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871095 0.69 APP (0.46) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL13640189 0.69 NTRK3 (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18870863 0.69 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871525 0.64 ATM (0.36) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871134 0.62 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18871416 0.62 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL205992 0.60 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1KDM4E

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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