SCHEMBL28584671

SCHEMBL28584671

CCC1Sc2ccccc2N1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.42
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM1A O60341 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL8009282 0.81 PPARG (0.40) PPARGMEN1KMT2AMAPTMAPK1
SCHEMBL7534194 0.80 MAOA (0.37) PPARGMEN1KMT2AMAPTMAPK1
SCHEMBL11515966 0.78 MAOA (0.41) PPARGSMN1; SMN2OPRK1MAOAALDH1A1
SCHEMBL28916911 0.72 BCHE (0.37) PPARGMAPTMAPK1SMN1; SMN2MAOA
SCHEMBL8008940 0.72 PPARG (0.43) PPARGSMN1; SMN2MAOAALDH1A1KDM1A
SCHEMBL29603098 0.71 ALDH1A1 (0.38) PPARGMEN1KMT2AMAPTMAPK1
SCHEMBL2906839 0.71 ALDH1A1 (0.38) PPARGMEN1KMT2AMAPTMAPK1
SCHEMBL11779546 0.71 CA12 (0.36) PPARGMEN1KMT2AMAPTMAPK1
SCHEMBL27907983 0.69 MEN1 (0.38) PPARGMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL10520649 0.69 LMNA (0.37) PPARGMEN1KMT2AMAPTKDM1A

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-113024483-A Preparation method of 2-substituted benzothiazole derivative 无锡鸣鹭医药科技有限公司 2021-06-25 — — CN disclosed
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