SCHEMBL28291905

SCHEMBL28291905

[CH2]CC(C)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ DNM1 Q05193 2/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL9572583 0.84 MAPT (0.43) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL489425 0.81 MAPT (0.47) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL9572804 0.80 MAPT (0.48) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3957592 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL10982843 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL7950616 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL10078834 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3542022 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL17710427 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL27787299 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2

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-109608493-A A method of preparing alpha-amido phosphate compounds 盐城锦明药业有限公司 2019-04-12 — — CN disclosed
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