SCHEMBL28228758

SCHEMBL28228758

CCCCc1ncc(Cc2ccc(OC)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ GLS O94925 2/20 0.41
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL18456841 0.85 POLB (0.66) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL28229464 0.83 MEN1 (0.46) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL8221788 0.81 POLB (0.68) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL10272620 0.76 POLB (0.69) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL18641427 0.75 POLB (0.56) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL18641455 0.75 POLB (0.56) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL3138985 0.75 POLB (1.00) POLBMEN1KMT2AABL1ALDH1A1
Hydrochloric Acid SCHEMBL18641553 0.74 POLB (0.58) POLBMEN1KMT2AABL1ALDH1A1
SCHEMBL18067938 0.73 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10220130 0.72 POLB (0.64) POLBMEN1KMT2AABL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699682-B N- (4- alkyl -5- benzyls thiazol-2-yl) amino alkane amide and the preparation method and application thereof 湖南大学 2018-09-07 — — CN disclosed
CN-106467498-B N- (thiazol-2-yl) aminoamide derivatives and the preparation method and application thereof 湖南大学 2018-09-07 — — CN disclosed
CN-106938989-B N- (5- benzyls thiazol-2-yl) acetamide derivative and the preparation method and application thereof 湖南大学 2018-09-07 — — CN disclosed
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