SCHEMBL28277764

SCHEMBL28277764

CCc1ccc(C(C)NCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PDE2A O00408 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.37
▸ TAOK3 Q9H2K8 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL28276315 0.83 ACACB (0.51) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL8285049 0.82 L3MBTL1 (0.48) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL178495 0.82 L3MBTL1 (0.48) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL178497 0.82 L3MBTL1 (0.48) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL28276307 0.79 SMN1; SMN2 (0.45) ALDH1A1LMNAHPGDHSD17B10TP53
SCHEMBL26748602 0.77 ALDH1A1 (0.44) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL13462886 0.77 SIGMAR1 (0.56) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL26748605 0.77 ALDH1A1 (0.44) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL8750481 0.76 TSHR (0.64) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL500563 0.75 TSHR (0.56) L3MBTL1TSHRMAPK1ATMTDP1

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-109384677-A A method of synthesis primary amine hydrochloride 南京理工大学 2019-02-26 — — CN disclosed
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