SCHEMBL28932947

SCHEMBL28932947

CCOC(=O)C1CN(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ CHRM2 P08172 3/20 0.46
▸ CHRM4 P08173 3/20 0.46
▸ CHRM5 P08912 3/20 0.46
▸ CHRM1 P11229 3/20 0.46
▸ CHRM3 P20309 3/20 0.46
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL10262984 0.83 SLC6A3 (0.56) MAPTPKMKMT2AMEN1TSHR
SCHEMBL5805888 0.82 MAPT (0.54) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL7888936 0.81 MAPT (0.53) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL28932953 0.81 MAPT (0.53) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL23923919 0.79 CYP1A2 (0.61) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23923920 0.79 CYP1A2 (0.61) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3449300 0.79 RORC (0.55) MAPTPKMALDH1A1CHRM2CHRM4
SCHEMBL5839366 0.79 RORC (0.55) MAPTPKMALDH1A1CHRM2CHRM4
SCHEMBL7887604 0.79 RORC (0.55) MAPTPKMALDH1A1CHRM2CHRM4
SCHEMBL14270533 0.78 MAPT (0.62) MAPTPKMALDH1A1CYP1A2CYP2D6

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
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 — — CN disclosed
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