SCHEMBL28046337

SCHEMBL28046337

O=[N+]([O-])c1ccc2ccc(Br)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NQO2 P16083 1/20 0.45
CYP3A4 P08684 4/20 0.45
ALOX15 P16050 1/20 0.45
NOS1 P29475 1/20 0.45
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL27619441 0.87 ALDH1A1 (0.51) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL28753879 0.79 MAPT (0.51) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL28046316 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL3366468 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL7051529 0.78 TDP1 (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL30918562 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL29180901 0.77 ALDH1A1 (0.49) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL3363432 0.77 NPC1 (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL3829978 0.75 TSHR (0.56) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL6371101 0.74 KMT2A (0.48) TXNRD1TXNRD3TXNRD2MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727262-A A kind of synthetic method of the bromo- 7- methoxy quinolines of 3- 苏州康润医药有限公司 2018-11-02 CN claimed
CN-116655638-B Deuterated PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2024-01-26 CN disclosed
CN-117157297-A PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-12-01 CN disclosed
CN-116655638-A Deuterated PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-29 CN disclosed
CN-108727262-A A kind of synthetic method of the bromo- 7- methoxy quinolines of 3- 苏州康润医药有限公司 2018-11-02 CN disclosed
CN-108727262-A A kind of synthetic method of the bromo- 7- methoxy quinolines of 3- 苏州康润医药有限公司 2018-11-02 CN disclosed
CN-108484495-A A kind of synthetic method of the bromo- 7- oxyquinolines of 3- 苏州康润医药有限公司 2018-09-04 CN disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed