SCHEMBL21812656

SCHEMBL21812656

NC(=O)OCc1nc(Br)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
RAB9A P51151 9/20 0.36
NPC1 O15118 7/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 8/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 4/20 0.34
NQO1 P15559 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 2/20 0.32

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
SCHEMBL5637413 0.83 CYP1A2 (0.45) LMNARAB9ANPC1L3MBTL1CASP3
SCHEMBL3129377 0.77 LMNA (0.59) LMNARAB9ANPC1L3MBTL1MAPT
SCHEMBL7079768 0.76 HDAC1 (0.39) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL3124093 0.74 LMNA (0.42) LMNARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL28675112 0.70 CYP1A2 (0.42) LMNARAB9ANPC1L3MBTL1CASP3
SCHEMBL25309164 0.70 MEN1 (0.49) LMNAMAPTGAAPKMALDH1A1
SCHEMBL3652832 0.70 TLR7 (0.37) LMNARAB9ANPC1L3MBTL1CASP3
SCHEMBL20508384 0.69 F2 (0.36) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL856603 0.69 CYP1A2 (0.32) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL28639401 0.69 LMNA (0.36) LMNAL3MBTL1MAPTNQO1HSP90AA1

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-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed