SCHEMBL10568215

SCHEMBL10568215

CCC(=O)OCCNc1cc(C)nc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCF1 P14598 2/20 0.38
▸ HPGD P15428 5/20 0.35
▸ HTT P42858 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ PKM P14618 3/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ MITF O75030 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ THRB P10828 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
SCHEMBL10567628 0.89 SLC2A1 (0.39) SLC2A1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10569681 0.84 TOP2A (0.40) SLC2A1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10565491 0.82 NCF1 (0.45) SLC2A1MAPTKMT2AMEN1KDM4E
SCHEMBL10567586 0.81 NQO2 (0.41) SLC2A1MAPTALDH1A1KMT2AMEN1
SCHEMBL10506904 0.81 NCF1 (0.56) SLC2A1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10507503 0.79 CYP2C19 (0.52) SLC2A1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10801118 0.77 SLC2A1 (0.48) SLC2A1ALDH1A1SMN1; SMN2NCF1HTT
SCHEMBL10568468 0.77 SLC2A1 (0.41) SLC2A1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL10803018 0.77 SLC2A1 (0.52) SLC2A1MAPTALDH1A1KMT2AKDM4E
SCHEMBL10507638 0.76 SLC2A1 (0.47) SLC2A1ALDH1A1KMT2AMEN1KDM4E

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
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 — — US claimed
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 — — US disclosed
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