SCHEMBL27924366

SCHEMBL27924366

NC1Sc2ccccc2N1Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ LMNA P02545 4/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2A13 Q16696 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PNMT P11086 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL9359079 0.81 GSK3B (0.44) ALDH1A1LMNASMN1; SMN2SIGMAR1
SCHEMBL31571120 0.74 ALDH1A1 (0.37) ALDH1A1HPGDHTTTSHRSMN1; SMN2
SCHEMBL9305366 0.74 ALDH1A1 (0.37) ALDH1A1HPGDHTTTSHRSMN1; SMN2
SCHEMBL6936002 0.69 BCHE (0.41) ALDH1A1LMNASMN1; SMN2SIGMAR1
SCHEMBL9358633 0.69 HRH3 (0.39) RAB9AALDH1A1SIGMAR1MAPT
SCHEMBL5256493 0.66 EHMT2 (0.38) ALDH1A1SMN1; SMN2SIGMAR1MAPTTDP1
SCHEMBL5259661 0.65 MAOA (0.35) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11035453 0.65 TSHR (0.39) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL6933782 0.65 LMNA (0.45) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31571121 0.64 MAOA (0.43) RAB9AALDH1A1TSHRSMN1; SMN2SIGMAR1

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
CN-103145643-B Aminothiazole compound dehydration and alkylation method UNIV WENZHOU 2015-04-15 — — CN disclosed
CN-103145643-A Aminothiazole compound dehydration and alkylation method UNIV WENZHOU 2013-06-12 — — CN disclosed
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