SCHEMBL28647421

SCHEMBL28647421

S=[Se](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 2/20 0.43
▸ EHMT2 Q96KQ7 2/20 0.43
▸ EHMT1 Q9H9B1 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 4/20 0.32
▸ TDP1 Q9NUW8 4/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ ACHE P22303 1/20 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
SCHEMBL1127796 0.69 BBOX1 (0.56) BBOX1EHMT2EHMT1ALDH1A1MAPK1
SCHEMBL1318915 0.65 — —
SCHEMBL158572 0.64 BBOX1 (0.58) BBOX1EHMT2EHMT1ALDH1A1TSHR
SCHEMBL16795837 0.64 BBOX1 (0.43) BBOX1EHMT2EHMT1ALDH1A1TSHR
SCHEMBL7379226 0.64 — —
SCHEMBL5458414 0.64 BBOX1 (0.43) BBOX1EHMT2EHMT1ALDH1A1TSHR
SCHEMBL3142465 0.60 — —
SCHEMBL2556 0.56 — —
SCHEMBL644381 0.56 — —
Potassium Ion SCHEMBL3889666 0.54 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112820935-A Novel battery based on sulfide solid electrolyte 长三角物理研究中心有限公司 2021-05-18 — — CN claimed
CN-112820935-A Novel battery based on sulfide solid electrolyte 长三角物理研究中心有限公司 2021-05-18 — — CN disclosed
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