SCHEMBL3080726

SCHEMBL3080726

CCOC(=O)c1ccc(/N=N/c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
RAB9A P51151 3/20 0.75
NPC1 O15118 1/20 0.75
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA14 Q9ULX7 2/20 0.66
ESR1 P03372 1/20 0.66
ESR2 Q92731 1/20 0.66
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAOA P21397 1/20 0.63
NOS3 P29474 2/20 0.59
NOS1 P29475 2/20 0.59
NOS2 P35228 2/20 0.59
ACHE P22303 1/20 0.58
PRSS1 P07477 1/20 0.56

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
SCHEMBL3080728 1.00 MAPT (0.75) MAPTRAB9ANPC1CA12CA1
SCHEMBL10817298 0.94 RAB9A (0.69) MAPTRAB9ANPC1CA12CA1
SCHEMBL18821735 0.93 RAB9A (0.67) MAPTRAB9ANPC1CA12CA1
SCHEMBL10025042 0.93 ESR1 (0.79) MAPTRAB9ANPC1CA12CA1
SCHEMBL5359003 0.93 MAPT (0.67) MAPTRAB9ANPC1CA12CA1
SCHEMBL18821709 0.93 MAPT (0.67) MAPTRAB9ANPC1CA12CA1
SCHEMBL31218179 0.93 ESR1 (0.79) MAPTRAB9ANPC1CA12CA1
SCHEMBL11888418 0.93 RAB9A (0.67) MAPTRAB9ANPC1CA12CA1
SCHEMBL18821713 0.91 LMNA (0.80) MAPTRAB9ANPC1CA12CA1
SCHEMBL11210774 0.91 LMNA (0.80) MAPTRAB9ANPC1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024234393-A1 FLEXIBLE INTELLIGENT WOOD HAVING RESPONSE FUNCTION, ACTUATOR, AND MANUFACTURING METHOD 南京林业大学 2024-11-21 WO claimed
WO-2024234393-A1 FLEXIBLE INTELLIGENT WOOD HAVING RESPONSE FUNCTION, ACTUATOR, AND MANUFACTURING METHOD 南京林业大学 2024-11-21 WO disclosed
CN-109704987-B Method for synthesizing 2-fluorobenzene amine compound 浙江工业大学 2021-10-15 CN disclosed
US-20100224826-A1 Dispersion Liquid Comprising Liquid Crystal-Compatible Particles, Paste Obtained Therefrom, and Mehtod for Preparing the Same UBE INDUSTRIES, LTD. (JP) 2010-09-09 US disclosed