SCHEMBL4654210

SCHEMBL4654210

Oc1ccccc1CC1=NCCO1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.50
▸ KEAP1 Q14145 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MPO P05164 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ ESRRA P11474 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ KCNN4 O15554 1/20 0.35
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29207386 0.77 ADRA2A (0.51) GAAMAPTCYP2D6TSHRTAAR1
SCHEMBL27653527 0.76 TAAR1 (0.43) GAAMAPTTSHRTAAR1IDO1
SCHEMBL2042815 0.74 ADRA2A (0.43) MAPTRAB9ACYP2D6TSHRTAAR1
SCHEMBL6054580 0.73 ADRA2A (0.31) KCNN4
SCHEMBL1851707 0.73 MEN1 (0.57) MAPTRAB9AMPOCYP2D6TSHR
Hydrochloric Acid SCHEMBL28113238 0.73 TAAR1 (0.44) MAPTRAB9ACYP2D6TSHRTAAR1
SCHEMBL329002 0.72 ADRA2A (0.34) CYP2D6TSHRHIF1AKCNN4
SCHEMBL29357407 0.70 HSPA5 (1.00) HSPA5KEAP1MAPTRAB9AMPO
SCHEMBL49745 0.70 HSPA5 (1.00) HSPA5KEAP1MAPTRAB9AMPO
SCHEMBL15194726 0.69 MAPT (0.42) MAPTTAAR1

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-119530825-A Method for constructing plane chirality [2,2] pair-ring tomato by cobalt catalysis asymmetric hydrocarbon bond activation-dynamic resolution 浙江大学 2025-02-28 — — CN claimed
CN-116789616-A Chiral salicyloxazoline ligand, synthesis thereof and application thereof in asymmetric catalytic reaction 浙江大学 2023-09-22 — — CN claimed
CN-121045194-A Method for constructing chiral axis-containing surface chiral cycloparaffin compound by cobalt-catalyzed asymmetric hydrocarbon bond activation 浙江大学 2025-12-02 — — CN disclosed
CN-119530825-A Method for constructing plane chirality [2,2] pair-ring tomato by cobalt catalysis asymmetric hydrocarbon bond activation-dynamic resolution 浙江大学 2025-02-28 — — CN disclosed
CN-116789616-A Chiral salicyloxazoline ligand, synthesis thereof and application thereof in asymmetric catalytic reaction 浙江大学 2023-09-22 — — CN disclosed
CN-116789616-A Chiral salicyloxazoline ligand, synthesis thereof and application thereof in asymmetric catalytic reaction 浙江大学 2023-09-22 — — CN disclosed
CN-116789616-A Chiral salicyloxazoline ligand, synthesis thereof and application thereof in asymmetric catalytic reaction 浙江大学 2023-09-22 — — CN disclosed
EP-1120402-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2008-06-25 — — EP disclosed
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