SCHEMBL28573272

SCHEMBL28573272

Brc1cccc2cc3ccccc3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
GLA P06280 2/20 0.56
MAPT P10636 1/20 0.56
ACHE P22303 1/20 0.56
NQO2 P16083 9/20 0.47
BACE1 P56817 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR3A P46098 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
RCE1 Q9Y256 1/20 0.41
BIRC5 O15392 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL7983249 0.84 BACE1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4902020 0.80 ALDH1A1 (0.70) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL24276712 0.77 NQO2 (0.50) ALDH1A1MAPTACHENQO2BACE1
SCHEMBL10601015 0.76 NQO2 (0.61) ALDH1A1MAPTACHENQO2BACE1
SCHEMBL902308 0.75 ALDH1A1 (0.60) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL802228 0.75 ACHE (0.61) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL1228778 0.75 ALDH1A1 (0.60) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL38655484 0.75 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL9559949 0.75 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL1188539 0.75 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE

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-110003260-B Boron heterocyclic compound, display panel, and display device 武汉天马微电子有限公司 2021-06-01 CN disclosed