SCHEMBL8867007

SCHEMBL8867007

COc1ccc(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 12/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
TTR P02766 1/20 0.54
PKM P14618 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
GFER P55789 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL31090163 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8867665 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL30875697 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL1667910 0.87 TTR (0.68) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8973887 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8867003 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL2742574 0.84 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL7317606 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL30135880 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL3720228 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888125-B TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-04-12 CN disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
CN-116888125-A TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
WO-2022213980-A1 TYK2 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-10-13 WO disclosed
WO-2022217276-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-10-13 WO disclosed
EP-3763711-A1 TETRAHYDROISOQUINOLINE COMPOUNDS Allinky Biopharma (ES) 2021-01-13 EP disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed