SCHEMBL28568657

SCHEMBL28568657

Fc1ccc(Br)c(NC(=S)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 2/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
CDK4 P11802 1/20 0.42
CDK9 P50750 1/20 0.42
EPHX1 P07099 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL28568216 0.87 NPC1 (0.52) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL28810111 0.83 MEN1 (0.58) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL23496704 0.83 EPHX1 (0.64) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL30479195 0.83 EPHX1 (0.64) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL28568659 0.81 NPC1 (0.56) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL29827720 0.80 L3MBTL1 (0.53) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL29827963 0.79 L3MBTL1 (0.49) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL28176245 0.79 L3MBTL1 (0.60) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL29344099 0.77 ALDH1A1 (0.44) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL20560292 0.76 MAPT (0.38) ALDH1A1LMNAHTTMEN1KMT2A

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
WO-2022178693-A1 METHOD FOR PREPARING BENZOTHIAZOLE COMPOUND BY USING N-(2-BROMOPHENYL)THIOAMIDE UNDER PROMOTION OF VISIBLE LIGHT 苏州大学 2022-09-01 WO disclosed
CN-112979581-B Method for preparing benzothiazole compound from N- (2-bromophenyl) thioamide promoted by visible light 苏州大学 2022-02-25 CN disclosed
CN-112979581-A Method for preparing benzothiazole compound from N- (2-bromophenyl) thioamide promoted by visible light 苏州大学 2021-06-18 CN disclosed