SCHEMBL28283078

SCHEMBL28283078

CC(Cl)Cl.Clc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ CASR P41180 2/20 0.46
▸ FBP1 P09467 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ MC5R P33032 1/20 0.46
▸ OPRM1 P35372 1/20 0.46

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
SCHEMBL76778 0.90 ALDH1A1 (0.54) RAB9AMAPTL3MBTL1PAX8NOD2
Hydrochloric Acid SCHEMBL2283945 0.88 ALDH1A1 (0.52) RAB9AMAPTL3MBTL1PAX8NOD2
SCHEMBL10668295 0.88 ALDH1A1 (0.52) RAB9AMAPTL3MBTL1PAX8NOD2
SCHEMBL6247403 0.79 CASR (0.45) RAB9AMAPTL3MBTL1CASRFBP1
SCHEMBL9675088 0.78 LOXL2 (0.64) RAB9AMAPTL3MBTL1PAX8NOD2
SCHEMBL8971386 0.75 SMN1; SMN2 (0.49) RAB9AMAPTL3MBTL1LOXL2CASR
SCHEMBL30066934 0.74 FBP1 (0.40) RAB9AMAPTL3MBTL1CASRFBP1
Oxazole SCHEMBL28355211 0.74 NPC1 (0.42) RAB9AMAPTL3MBTL1CASRFBP1
SCHEMBL7633187 0.73 ALDH1A1 (0.59) MAPTL3MBTL1FBP1ALDH1A1ALOX15
SCHEMBL62420 0.72 LOXL2 (0.66) RAB9AMAPTL3MBTL1PAX8NOD2

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-109456282-A A kind of synthetic method of 2- chloro benzothiazole 江苏快达农化股份有限公司 2019-03-12 — — CN disclosed
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