SCHEMBL28895842

SCHEMBL28895842

Cc1ccccc1NCc1ccc(B(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.58
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SCD O00767 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX12 P18054 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ LPL P06858 2/20 0.44
▸ LIPG Q9Y5X9 2/20 0.44
▸ TRPV1 Q8NER1 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3440796 0.80 ADRA2C (0.72) ADRA2CMAPTHTTALDH1A1MEN1
Bromide SCHEMBL30496129 0.78 ADRA2C (0.70) ADRA2CMAPTHTTALDH1A1MEN1
SCHEMBL257902 0.78 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10669853 0.77 ADRA2C (0.64) ADRA2CMAPTHTTALDH1A1MEN1
SCHEMBL177678 0.75 FFAR1 (0.54) HTTMEN1KMT2ATRPV1
SCHEMBL28433585 0.75 MAPT (0.63) ADRA2CMAPTHTTALDH1A1MEN1
Propionic Acid SCHEMBL28643153 0.73 ADRA2C (0.58) ADRA2CMAPTHTTALDH1A1MEN1
SCHEMBL21970160 0.73 ADRA2C (0.58) ADRA2CMAPTHTTALDH1A1MEN1
SCHEMBL15761734 0.73 CA1 (0.61) ADRA2CMAPTALDH1A1MEN1KMT2A
SCHEMBL30690081 0.73 HDAC6 (0.70) SCDHDAC1HDAC8HDAC6

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-110357911-B Brassinosteroid derivatization reagent and preparation method and application thereof 武汉大学 2020-07-24 — — CN claimed
CN-110357911-B Brassinosteroid derivatization reagent and preparation method and application thereof 武汉大学 2020-07-24 — — CN disclosed
CN-110357911-B Brassinosteroid derivatization reagent and preparation method and application thereof 武汉大学 2020-07-24 — — CN disclosed
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