SCHEMBL28375936

SCHEMBL28375936

Clc1c(I)sc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ MCL1 Q07820 1/20 0.50
▸ GPR3 P46089 1/20 0.50
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ OGG1 O15527 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.41
▸ MAPT P10636 7/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL12778296 0.73 GPR3 (0.50) LOXL2MCL1GPR3MAPTKDM4E
SCHEMBL14315167 0.73 LOXL2 (0.59) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL28455529 0.73 MCL1 (0.60) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL28378900 0.73 LOXL2 (0.53) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL31337819 0.73 GPR3 (0.50) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL24442088 0.73 GPR3 (0.50) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL5312719 0.73 LOXL2 (0.53) LOXL2MCL1GPR3HDAC1HDAC8
SCHEMBL16900681 0.73 GPR3 (0.50) LOXL2GPR3MAPTKDM4EALDH1A1
SCHEMBL154877 0.73 LOXL2 (0.53) LOXL2MCL1GPR3HDAC1HDAC8
Hydrochloric Acid SCHEMBL14246844 0.71 LOXL2 (0.57) LOXL2MCL1GPR3HDAC1HDAC8

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-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 — — CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 — — CN disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 — — CN disclosed
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